data_2emj_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 2emj _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 N--CA 1.465 -0.15 0 CA-C-O 120.848 0.27 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -106.63 82.66 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -104.66 148.08 26.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.7 t -101.4 123.34 45.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.31 36.71 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -121.34 -43.03 2.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.2 p -124.19 -41.24 2.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.73 37.89 0.53 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -106.35 176.44 5.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 87.7 p -155.38 161.31 41.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -148.25 174.11 12.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.6 m -92.25 -51.8 4.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.5 pt -109.5 174.17 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 28' ' ' LEU . 6.5 t -67.98 -59.09 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' SER . 15.1 m -34.62 -46.56 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.62 -47.67 84.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' SER . 54.3 tp -62.87 -40.47 97.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.73 -58.22 9.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.403 ' C ' ' HG3' ' A' ' 33' ' ' ARG . 33.5 m -51.36 -17.58 0.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 33' ' ' ARG . 75.2 t60 -91.54 -58.0 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -39.58 -25.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 31' ' ' HIS . 11.8 mtm180 -49.39 -53.95 19.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.3 pt -56.54 -13.48 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.87 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.787 0.245 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -124.77 107.71 11.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -133.21 122.64 24.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.0 t -80.47 131.52 35.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -104.82 7.0 34.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.639 ' CB ' ' CE1' ' A' ' 35' ' ' HIS . 22.2 mt-10 -86.95 -39.96 15.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.7 p -127.1 -35.13 2.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.44 60.69 0.49 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -131.27 166.83 20.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.32 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.7 p -133.32 163.99 28.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -148.84 175.46 11.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.5 t -107.8 -17.52 14.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.7 pt -141.71 152.49 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.2 t -62.79 -38.53 91.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 t -53.03 -41.59 64.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -72.52 -44.13 62.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.5 tp -58.58 -44.85 89.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.42 -57.76 10.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.079 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.7 m -52.05 -17.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.419 ' CE1' HD13 ' A' ' 34' ' ' ILE . 8.6 t60 -90.23 -40.22 12.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.793 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -55.48 -20.82 13.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.0 mtt-85 -64.66 -45.64 85.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.419 HD13 ' CE1' ' A' ' 31' ' ' HIS . 2.3 pt -48.33 -24.24 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.639 ' CE1' ' CB ' ' A' ' 17' ' ' GLU . 80.6 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.765 0.235 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 64.5 m-85 -105.78 106.34 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -132.83 134.37 44.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.4 t -84.23 134.57 34.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -108.64 42.81 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -129.88 -58.16 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -107.31 -45.22 4.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.91 55.92 0.17 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -134.23 143.11 47.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.802 0.335 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.7 m -119.24 165.26 14.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -141.06 169.57 17.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.9 m -91.4 -35.43 14.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.41 142.79 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.177 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.527 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 1.1 t -54.17 -35.62 62.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.5 p -51.41 -52.57 44.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -61.07 -49.95 75.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 tp -52.12 -53.94 36.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.64 -45.8 58.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.5 m -61.3 -27.66 68.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -76.77 -41.19 45.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -55.03 -14.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -62.04 -52.05 65.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -61.1 -11.61 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.919 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.495 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.849 0.27 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 31.7 m-85 -148.77 112.82 5.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -143.81 158.44 43.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.2 t -95.43 132.3 40.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -106.27 36.46 2.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -125.26 -58.05 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -98.88 -45.72 5.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.84 70.3 0.29 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -146.59 116.79 7.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.822 0.344 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.7 p -98.12 153.76 18.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.429 ' CD1' ' HB3' ' A' ' 27' ' ' GLN . 78.2 m-85 -134.06 -177.67 4.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 t -101.41 -42.75 6.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.6 pt -120.8 -179.92 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.441 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 8.7 t -76.23 -50.17 15.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -44.14 -32.19 1.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.429 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 41.5 mm-40 -71.29 -51.52 23.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.0 tp -64.17 -33.27 75.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.29 -48.54 79.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.125 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.401 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 1.6 m -63.83 -17.78 63.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -90.88 -41.44 11.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -56.33 -13.59 2.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.401 ' NE ' ' HA ' ' A' ' 30' ' ' THR . 27.7 mtt-85 -65.38 -50.34 65.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.7 pt -64.93 -8.08 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.833 179.906 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.869 0.279 . . . . 0.0 112.364 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 65.0 m-85 -116.73 98.93 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -121.86 124.08 43.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.4 t -70.99 127.91 34.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.69 35.6 1.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -123.18 -50.23 1.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.9 p -114.36 -47.89 2.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.75 50.3 0.2 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -129.0 134.69 48.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.5 p -105.08 159.51 15.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.846 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.547 ' CD2' ' HA ' ' A' ' 28' ' ' LEU . 97.7 m-85 -134.93 156.9 48.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 t -68.45 -50.7 50.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 pt -117.33 167.96 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.56 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 51.3 p -64.94 -58.48 6.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 25' ' ' SER . 3.4 m -36.74 -52.19 0.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.864 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -53.16 -56.62 14.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.547 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 15.5 tp -51.69 -46.26 63.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.63 -46.11 73.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.9 m -62.11 -15.61 46.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 33' ' ' ARG . 27.9 t60 -92.14 -62.79 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -43.89 -22.24 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 34' ' ' ILE . 22.3 ptt180 -51.87 -38.47 56.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.42 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 5.8 pt -69.1 -17.92 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.912 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.847 0.269 . . . . 0.0 112.367 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.548 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 69.7 m-85 -128.59 91.39 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -111.49 121.93 46.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.9 t -58.51 125.06 21.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.3 40.3 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.066 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -126.68 -46.05 1.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -120.32 -46.32 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.5 35.61 0.28 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -95.59 155.01 16.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.7 p -128.17 157.39 40.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.442 ' CE1' HD12 ' A' ' 28' ' ' LEU . 38.2 m-85 -153.98 170.44 21.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.0 m -87.16 -55.73 3.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.1 pt -112.17 168.54 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.167 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 35.1 p -60.15 -57.6 12.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 25' ' ' SER . 2.8 m -35.31 -46.64 0.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -60.06 -49.44 77.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.442 HD12 ' CE1' ' A' ' 22' ' ' PHE . 56.6 tp -61.41 -47.31 86.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.36 -53.43 54.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.0 m -56.34 -17.09 6.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 33' ' ' ARG . 31.1 t60 -92.03 -65.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -42.3 -23.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 34' ' ' ILE . 42.5 ptt85 -49.04 -41.66 35.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.455 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 8.8 pt -64.8 -23.37 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.859 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.202 0 CA-C-O 120.81 0.254 . . . . 0.0 112.312 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -137.41 108.33 6.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -134.65 116.58 15.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.0 t -51.38 128.88 23.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.91 34.74 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' OE2' ' CB ' ' A' ' 35' ' ' HIS . 47.4 mt-10 -124.0 -50.99 1.8 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.6 p -111.02 -50.51 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.46 48.18 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -112.53 141.39 46.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.896 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.0 p -108.14 144.98 34.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CE1' HD12 ' A' ' 28' ' ' LEU . 5.6 m-85 -134.81 168.4 19.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.4 m -92.44 -53.13 4.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.2 pt -103.15 163.84 3.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 26' ' ' SER . 24.2 t -67.77 -56.25 9.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' SER . 48.4 t -37.85 -58.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -44.76 -59.47 2.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.566 HD12 ' CE1' ' A' ' 22' ' ' PHE . 10.4 tp -49.89 -52.71 30.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.56 -48.86 65.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.7 m -62.26 -16.57 54.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.42 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.9 t60 -92.39 -48.22 6.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -51.92 -24.68 6.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.4 ptt85 -54.65 -37.07 65.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.41 HG13 ' N ' ' A' ' 35' ' ' HIS . 11.9 pt -52.17 -34.99 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CB ' ' OE2' ' A' ' 17' ' ' GLU . 78.9 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.465 -0.171 0 CA-C-O 120.859 0.275 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 84.0 m-85 -118.16 97.15 5.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -122.38 149.95 43.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.2 t -87.2 124.29 33.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.1 35.91 1.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.106 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -125.55 -60.96 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.1 p -91.77 -47.78 7.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.21 40.13 0.45 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.466 ' NZ ' ' CE1' ' A' ' 31' ' ' HIS . 21.9 mtmt -117.53 171.92 7.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.2 m -133.46 164.82 26.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -145.43 157.88 43.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 m -83.37 -46.65 12.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.8 pt -108.25 168.69 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 44.0 p -77.17 -21.48 53.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -71.49 -46.79 58.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -54.53 -41.75 70.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 tp -71.52 -47.49 54.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.06 -47.62 71.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.404 ' C ' ' HG3' ' A' ' 33' ' ' ARG . 25.0 m -70.82 -11.09 60.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 33' ' ' ARG . 32.1 t60 -90.35 -59.81 2.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' HIS . 32.6 mt-30 -37.06 -29.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 31' ' ' HIS . 16.4 mtm180 -47.1 -50.9 19.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -52.15 -24.75 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.189 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.453 ' N ' HG13 ' A' ' 34' ' ' ILE . 63.4 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.843 0.268 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -120.07 123.89 44.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -140.4 123.13 16.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.2 t -65.88 158.82 26.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.42 -35.85 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.104 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.548 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 6.3 mm-40 -48.44 -40.3 25.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.8 p -118.09 -47.8 2.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.57 55.04 0.36 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -118.45 154.95 31.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.483 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 53.9 p -113.82 156.59 23.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 21' ' ' SER . 11.2 m-85 -147.37 159.49 43.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 m -83.24 -48.28 10.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.4 pt -113.91 177.33 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.154 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 26' ' ' SER . 59.5 p -78.52 -59.31 2.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' SER . 1.1 t -35.57 -50.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -52.52 -57.56 9.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp -53.85 -48.39 70.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.47 -51.22 56.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.5 m -59.49 -17.32 30.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 33' ' ' ARG . 7.3 t60 -91.98 -57.03 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -38.34 -26.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' HIS . 2.1 mtm105 -52.12 -46.85 65.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.8 pt -48.45 -26.73 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 92.2 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.814 0.256 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -88.34 95.23 10.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -115.32 136.12 53.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -73.49 158.05 35.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.06 -16.55 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.561 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.0 mm-40 -80.15 -42.17 23.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.2 p -117.03 -43.57 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.11 5.58 17.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.507 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -79.09 135.97 37.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.338 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.4 p -92.4 172.12 8.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -149.85 149.81 31.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.2 m -63.74 -48.2 77.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.0 pt -118.79 -179.42 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' LEU . 12.9 t -79.4 -56.17 4.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' SER . 3.4 m -37.42 -46.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -60.89 -44.17 97.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' SER . 26.7 tp -65.83 -51.2 60.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.01 -52.54 64.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.415 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 5.0 m -64.49 -10.47 25.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -92.11 -55.89 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -51.07 -18.72 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 34' ' ' ILE . 4.9 ppt_? -61.52 -38.29 86.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.464 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 6.6 pt -61.98 -26.83 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.561 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 32.9 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.794 0.248 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 84.9 m-85 -134.53 109.98 9.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -131.21 142.44 50.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.1 t -83.35 123.51 29.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.34 40.04 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -127.02 -54.67 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.8 p -107.48 -47.75 3.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.54 56.51 0.16 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.497 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -135.21 121.96 20.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.2 m -90.91 163.49 14.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -146.01 146.68 31.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.6 m -71.81 -45.18 62.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 pt -115.26 151.7 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 16.2 t -56.22 -60.1 3.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 25' ' ' SER . 71.8 m -35.75 -52.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.816 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -48.32 -46.3 36.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.453 HD22 ' NE2' ' A' ' 32' ' ' GLN . 21.5 tp -62.55 -47.58 83.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.84 -53.87 35.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.076 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.407 ' C ' ' HG3' ' A' ' 33' ' ' ARG . 20.2 m -51.34 -22.21 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.179 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.473 ' O ' ' N ' ' A' ' 33' ' ' ARG . 21.7 t60 -91.33 -56.96 2.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.802 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.453 ' NE2' HD22 ' A' ' 28' ' ' LEU . 83.4 mt-30 -40.03 -25.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' HIS . 8.2 mtm180 -52.17 -45.49 65.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -68.39 -21.62 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.404 ' N ' HG13 ' A' ' 34' ' ' ILE . 15.4 m-70 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.818 0.257 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.503 ' CE2' ' HA ' ' A' ' 24' ' ' ILE . 73.8 m-85 -121.09 123.97 43.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -141.62 119.69 12.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.5 t -68.67 147.23 52.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -105.38 -27.12 11.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.532 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 33.4 mm-40 -54.43 -57.17 12.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.5 p -106.66 -46.11 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.77 33.27 0.94 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.49 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 22.4 mtpt -95.25 175.28 6.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.81 0.338 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.401 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 88.4 p -135.48 166.7 22.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.418 ' CZ ' ' CB ' ' A' ' 31' ' ' HIS . 86.4 m-85 -152.45 171.18 18.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.8 t -83.6 -42.47 16.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.503 ' HA ' ' CE2' ' A' ' 13' ' ' PHE . 1.9 pp -141.12 170.87 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 28' ' ' LEU . 13.1 p -59.06 -63.97 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.48 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . 1.5 m -32.94 -36.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 25' ' ' SER . 32.8 mt-30 -80.46 -46.52 15.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 25' ' ' SER . 19.6 tp -59.01 -42.31 89.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.76 -52.48 65.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.4 m -49.25 -19.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.49 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 42.5 t60 -91.98 -65.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -42.81 -24.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 31' ' ' HIS . 23.4 ptt85 -46.82 -34.99 5.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.466 HG13 ' N ' ' A' ' 35' ' ' HIS . 16.4 pt -73.29 -28.57 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.532 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 56.3 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.186 0 CA-C-O 120.791 0.246 . . . . 0.0 112.3 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -128.54 94.96 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -143.88 123.82 13.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.1 t -66.04 134.72 53.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.13 -34.83 15.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -50.08 -60.38 3.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -95.25 -47.05 6.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.25 37.78 1.31 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.535 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.485 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 13.7 tptm -101.95 127.84 48.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.76 0.314 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.6 p -101.04 148.38 25.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.813 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.485 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 96.5 m-85 -136.36 162.66 32.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.935 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 t -85.17 -42.77 14.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 pt -116.0 138.65 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.169 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 26' ' ' SER . 3.4 t -44.18 -56.9 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' SER . 47.6 t -34.04 -59.18 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.847 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.481 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 12.2 mm100 -44.66 -47.67 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' SER . 25.1 tp -58.41 -53.09 62.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.31 -47.1 69.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.0 m -64.6 -13.12 51.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.136 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.417 ' CD2' ' N ' ' A' ' 32' ' ' GLN . 2.9 t60 -92.92 -57.22 2.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.417 ' N ' ' CD2' ' A' ' 31' ' ' HIS . 55.6 mt-30 -45.67 -24.92 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.7 ptt85 -48.75 -33.37 10.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.442 HG13 ' N ' ' A' ' 35' ' ' HIS . 15.0 pt -71.53 -31.25 42.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.442 ' N ' HG13 ' A' ' 34' ' ' ILE . 50.8 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.795 0.248 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -98.71 120.99 40.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -142.3 115.47 8.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -52.66 134.15 36.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.22 31.02 4.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.051 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -119.54 -49.79 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.8 p -112.55 -48.54 3.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.06 51.97 0.13 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.29 174.32 5.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.846 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.5 p -139.37 153.43 47.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -147.45 160.17 42.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.3 t -83.51 -42.19 17.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.2 pt -120.13 144.45 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.148 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.1 t -55.65 -48.4 75.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.7 p -41.33 -41.88 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.808 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -68.54 -51.77 39.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 tp -51.94 -54.85 24.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.1 -51.39 10.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.494 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 96.8 m -55.21 -39.83 70.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.494 ' CE1' HD11 ' A' ' 34' ' ' ILE . 1.5 t60 -68.97 -40.46 78.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -52.71 -16.52 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 30' ' ' THR . 0.3 OUTLIER -63.24 -31.96 73.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.494 HD11 ' CE1' ' A' ' 31' ' ' HIS . 10.3 pt -59.29 -20.29 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.176 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.846 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.849 0.27 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 78.9 m-85 -115.25 110.76 19.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -144.14 144.41 31.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.7 t -85.14 137.34 33.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -107.8 35.22 3.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -123.97 -61.17 1.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.2 p -92.14 -50.85 5.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.27 51.61 0.21 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.544 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -133.54 124.63 27.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.8 p -100.2 163.49 12.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.05 174.81 10.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -92.76 -47.81 6.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.0 pt -112.18 179.38 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 36.7 t -78.85 -58.56 3.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.825 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.8 t -37.74 -39.58 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -67.95 -46.9 70.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 25' ' ' SER . 40.1 tp -61.7 -52.98 62.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.74 -55.97 14.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.465 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 9.9 m -51.96 -20.14 2.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.499 ' CE1' HD12 ' A' ' 34' ' ' ILE . 2.9 t60 -92.1 -48.28 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -50.41 -29.16 9.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 30' ' ' THR . 3.4 ppt_? -53.43 -30.61 41.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.499 HD12 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -56.34 -46.44 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.487 ' N ' ' CG1' ' A' ' 34' ' ' ILE . 74.2 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.171 0 CA-C-O 120.846 0.269 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.462 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 61.0 m-85 -101.11 89.84 3.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -124.28 111.57 15.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.1 t -53.92 121.96 9.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.55 38.5 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -124.66 -55.06 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.1 p -103.81 -47.21 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.26 53.32 0.14 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.505 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -128.15 173.54 10.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.827 0.346 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -139.98 169.19 18.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -151.16 164.18 37.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.6 m -80.7 -50.44 9.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.5 pt -119.32 163.68 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.462 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 70.2 p -59.74 -55.92 28.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' SER . 3.3 t -35.37 -50.37 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -57.37 -47.44 81.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 25' ' ' SER . 41.0 tp -57.46 -48.54 78.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.64 -43.99 76.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 m -63.6 -14.76 54.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -91.98 -50.67 5.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -49.13 -18.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.44 ' HD3' ' N ' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -54.96 -36.77 65.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.44 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 6.1 pt -82.35 -9.83 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 179.943 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.871 0.279 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -137.29 116.7 12.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -133.57 130.25 38.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.1 t -72.33 123.58 23.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.43 39.08 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.564 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 13.6 mm-40 -125.72 -57.79 1.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -100.44 -46.64 5.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.22 41.74 0.27 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -113.75 172.04 7.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.764 0.316 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.7 m -141.91 164.06 31.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -149.24 -176.41 5.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 t -110.91 -46.95 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.3 pt -109.74 170.69 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 26' ' ' SER . 14.0 m -71.34 -57.79 4.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 25' ' ' SER . 3.9 m -35.48 -51.32 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -52.1 -59.88 3.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.2 tp -55.33 -47.34 75.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.55 -46.93 19.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.083 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.505 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 53.1 m -59.12 -61.43 2.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.18 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.558 ' CE1' HD13 ' A' ' 34' ' ' ILE . 77.3 t60 -49.16 -47.35 45.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -46.58 -21.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -53.28 -39.99 64.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.558 HD13 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -77.86 -7.08 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 67.9 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.19 0 CA-C-O 120.775 0.24 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.545 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 94.1 m-85 -127.01 95.96 4.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -144.06 147.38 33.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -75.54 123.18 25.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.58 33.67 2.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -122.18 -58.99 1.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.6 p -87.08 -54.92 4.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.51 44.4 0.11 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -125.17 158.97 32.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.774 0.321 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.9 p -131.32 160.35 35.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -138.77 -178.3 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -99.64 -47.67 5.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.5 pt -115.73 168.52 7.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.185 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.545 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 88.4 p -62.86 -60.83 2.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 25' ' ' SER . 5.5 t -34.9 -56.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -50.38 -48.87 55.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.21 -58.27 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.99 -53.48 16.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.478 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 73.0 m -52.94 -21.68 4.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -92.17 -48.1 6.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.823 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -50.84 -25.49 4.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 30' ' ' THR . 5.6 ppt_? -56.56 -29.17 61.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.463 HG22 ' NE ' ' A' ' 33' ' ' ARG . 7.9 pt -64.03 -32.95 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.137 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.882 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.232 0.192 0 CA-C-O 120.787 0.245 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' A' ' 24' ' ' ILE . 70.5 m-85 -121.33 109.08 14.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -136.82 116.48 12.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.3 t -57.03 130.32 45.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.35 30.38 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -120.84 -55.69 1.98 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -102.11 -45.53 5.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.37 49.95 0.29 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.488 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -120.6 153.73 36.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.848 0.356 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 74.0 p -121.23 144.64 48.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CD1' HD13 ' A' ' 28' ' ' LEU . 90.2 m-85 -122.67 -178.27 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.1 m -99.88 -36.26 9.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.567 ' HA ' ' CE2' ' A' ' 13' ' ' PHE . 1.9 pp -143.21 151.55 17.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 26' ' ' SER . 2.5 p -46.6 -58.06 4.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.486 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . 0.7 OUTLIER -33.0 -44.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 -179.808 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -75.55 -48.67 21.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.57 HD13 ' CD1' ' A' ' 22' ' ' PHE . 25.7 tp -51.9 -44.63 63.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.77 -52.22 66.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.073 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.1 m -47.27 -30.97 3.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -77.06 -50.05 13.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -48.57 -19.01 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -59.3 -51.96 67.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.3 pt -63.26 -13.08 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.812 179.931 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.786 0.244 . . . . 0.0 112.277 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 32.8 m-85 -139.36 113.3 8.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.408 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 13.4 mp0 -124.31 133.46 53.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.4 t -71.06 120.04 16.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.17 38.71 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -128.26 -60.35 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.0 p -96.65 -47.24 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.49 52.08 0.24 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -128.56 132.98 48.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.4 p -94.8 157.66 15.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.419 ' CE2' HD13 ' A' ' 28' ' ' LEU . 89.6 m-85 -140.3 145.05 36.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.9 t -74.33 -38.19 63.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 pt -122.04 154.94 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.484 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 77.8 p -62.16 -50.04 73.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -39.74 -58.09 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -45.19 -54.61 6.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.419 HD13 ' CE2' ' A' ' 22' ' ' PHE . 51.8 tp -49.87 -36.26 26.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.9 -50.67 63.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.5 m -66.6 -10.98 51.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -92.18 -59.84 2.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -46.91 -20.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -54.13 -14.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.0 pt -91.02 -23.33 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.895 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -113.3 98.0 6.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.887 0.375 . . . . 0.0 110.853 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 t -104.22 149.01 25.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.67 77.22 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.47 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.7 t -116.31 120.33 38.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -162.18 170.28 19.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.17 141.16 7.23 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.7 p -125.47 39.84 3.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.826 0.346 . . . . 0.0 111.117 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.78 89.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -85.16 176.52 8.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.904 0.383 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -164.72 155.14 12.58 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.584 0.707 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -28.32 25.27 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -106.63 82.66 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -104.66 148.08 26.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.7 t -101.4 123.34 45.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.31 36.71 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -121.34 -43.03 2.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.2 p -124.19 -41.24 2.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.73 37.89 0.53 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -106.35 176.44 5.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 87.7 p -155.38 161.31 41.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -148.25 174.11 12.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.6 m -92.25 -51.8 4.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.5 pt -109.5 174.17 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 28' ' ' LEU . 6.5 t -67.98 -59.09 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' SER . 15.1 m -34.62 -46.56 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.62 -47.67 84.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' SER . 54.3 tp -62.87 -40.47 97.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.73 -58.22 9.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.403 ' C ' ' HG3' ' A' ' 33' ' ' ARG . 33.5 m -51.36 -17.58 0.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 33' ' ' ARG . 75.2 t60 -91.54 -58.0 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -39.58 -25.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 31' ' ' HIS . 11.8 mtm180 -49.39 -53.95 19.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.3 pt -56.54 -13.48 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -101.81 -35.22 9.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.7 p -73.34 115.2 12.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 168.09 -38.23 0.22 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.85 179.07 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.947 0.404 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.08 78.1 74.62 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.592 0.71 . . . . 0.0 110.857 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -50.42 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.709 2.272 . . . . 0.0 112.322 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.4 m -127.65 174.88 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.31 -93.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 176.46 6.76 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.322 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -92.38 157.26 16.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.1 t -49.89 -59.58 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.483 -179.993 . . . . . . . . 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 -0.325 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t 64.78 41.88 4.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.374 . . . . 0.0 110.903 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -69.8 -57.89 4.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.73 -80.56 0.3 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.508 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -53.21 -43.52 67.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.874 0.368 . . . . 0.0 110.887 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.0 t 45.85 49.34 11.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.822 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.82 117.73 0.78 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.1 t -87.53 -5.33 58.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 111.103 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.15 178.82 45.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.499 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -148.98 119.87 7.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.905 0.383 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.462 ' CG ' ' HB2' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -93.47 143.3 26.42 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.595 0.712 . . . . 0.0 110.876 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -29.67 23.25 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.655 2.237 . . . . 0.0 112.353 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -124.77 107.71 11.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.462 ' HB2' ' CG ' ' A' ' 11' ' ' LYS . 37.6 tt0 -133.21 122.64 24.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.0 t -80.47 131.52 35.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -104.82 7.0 34.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.639 ' CB ' ' CE1' ' A' ' 35' ' ' HIS . 22.2 mt-10 -86.95 -39.96 15.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.7 p -127.1 -35.13 2.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.44 60.69 0.49 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -131.27 166.83 20.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.32 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.7 p -133.32 163.99 28.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -148.84 175.46 11.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.5 t -107.8 -17.52 14.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.7 pt -141.71 152.49 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.2 t -62.79 -38.53 91.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 t -53.03 -41.59 64.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -72.52 -44.13 62.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.5 tp -58.58 -44.85 89.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.42 -57.76 10.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.079 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.7 m -52.05 -17.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.419 ' CE1' HD13 ' A' ' 34' ' ' ILE . 8.6 t60 -90.23 -40.22 12.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.793 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -55.48 -20.82 13.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.498 ' O ' ' CG2' ' A' ' 36' ' ' THR . 21.0 mtt-85 -64.66 -45.64 85.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.419 HD13 ' CE1' ' A' ' 31' ' ' HIS . 2.3 pt -48.33 -24.24 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.639 ' CE1' ' CB ' ' A' ' 17' ' ' GLU . 80.6 m-70 -75.28 -34.78 61.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 33' ' ' ARG . 12.4 t -34.12 141.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.15 -155.9 49.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -160.33 148.79 16.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.877 0.37 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -77.63 153.06 81.03 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.584 0.707 . . . . 0.0 110.837 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 41' ' ' SER . 54.0 Cg_endo -69.76 -8.82 24.58 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.682 2.254 . . . . 0.0 112.361 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 40' ' ' PRO . 2.0 m -36.43 -40.4 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.24 145.82 16.33 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.52 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 155.38 66.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.376 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 81.2 p -167.51 114.24 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.1 t -68.67 -58.29 4.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.491 -179.926 . . . . . . . . 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 -0.329 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 p -112.93 -43.89 3.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -63.81 142.68 58.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.74 100.08 0.23 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.7 p -171.13 114.52 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.93 0.395 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.7 m -113.33 107.33 15.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.16 59.08 7.22 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.451 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.9 m -124.43 83.72 2.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.873 0.368 . . . . 0.0 111.132 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.32 62.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -84.6 -26.22 28.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.867 0.365 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -92.09 146.93 33.7 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.517 0.675 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -29.69 23.63 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.328 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 64.5 m-85 -105.78 106.34 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -132.83 134.37 44.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.4 t -84.23 134.57 34.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -108.64 42.81 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -129.88 -58.16 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -107.31 -45.22 4.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.91 55.92 0.17 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -134.23 143.11 47.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.802 0.335 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.7 m -119.24 165.26 14.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -141.06 169.57 17.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.9 m -91.4 -35.43 14.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.41 142.79 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.177 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.527 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 1.1 t -54.17 -35.62 62.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.5 p -51.41 -52.57 44.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -61.07 -49.95 75.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 tp -52.12 -53.94 36.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.64 -45.8 58.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.5 m -61.3 -27.66 68.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -76.77 -41.19 45.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -55.03 -14.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -62.04 -52.05 65.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -61.1 -11.61 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -94.91 -33.71 12.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.2 p -93.43 86.64 5.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.136 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.89 169.42 42.43 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -173.23 155.08 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -163.5 143.88 6.95 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.594 0.712 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -16.9 37.74 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -61.49 -53.59 54.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.68 83.42 0.33 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -173.27 0.69 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.391 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.7 t -117.92 84.95 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.7 p -158.39 174.78 14.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.825 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.495 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 p -109.16 85.39 2.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.826 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -76.2 -57.1 4.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 153.3 -80.37 0.19 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.478 ' O ' ' CE ' ' A' ' 11' ' ' LYS . 42.8 t 35.08 43.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.912 0.386 . . . . 0.0 110.837 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 p -88.34 -49.57 6.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.836 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.41 -153.03 2.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.466 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.3 p -93.34 36.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 111.117 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.32 164.54 30.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.466 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -113.77 111.5 21.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.908 0.385 . . . . 0.0 110.834 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' CE ' ' O ' ' A' ' 5' ' ' SER . 15.6 mtmm -113.52 82.65 6.3 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.567 0.698 . . . . 0.0 110.942 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.495 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.73 -4.92 14.98 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.357 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 31.7 m-85 -148.77 112.82 5.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -143.81 158.44 43.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.2 t -95.43 132.3 40.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -106.27 36.46 2.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -125.26 -58.05 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -98.88 -45.72 5.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.84 70.3 0.29 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -146.59 116.79 7.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.822 0.344 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.7 p -98.12 153.76 18.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.429 ' CD1' ' HB3' ' A' ' 27' ' ' GLN . 78.2 m-85 -134.06 -177.67 4.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 t -101.41 -42.75 6.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.6 pt -120.8 -179.92 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.441 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 8.7 t -76.23 -50.17 15.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -44.14 -32.19 1.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.429 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 41.5 mm-40 -71.29 -51.52 23.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.0 tp -64.17 -33.27 75.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.29 -48.54 79.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.125 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.401 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 1.6 m -63.83 -17.78 63.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -90.88 -41.44 11.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -56.33 -13.59 2.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.401 ' NE ' ' HA ' ' A' ' 30' ' ' THR . 27.7 mtt-85 -65.38 -50.34 65.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.7 pt -64.93 -8.08 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -99.28 -33.35 10.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.833 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -103.17 145.28 30.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.38 -88.94 2.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.525 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -140.94 140.85 34.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.897 0.38 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -117.12 80.65 11.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.721 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -7.67 21.66 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.717 2.278 . . . . 0.0 112.307 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.4 t -100.04 116.02 31.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 58.57 66.21 2.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.461 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -22.97 31.38 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.687 2.258 . . . . 0.0 112.352 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.2 p -147.49 146.78 29.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.3 m -112.72 95.47 5.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.482 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -39.57 126.3 1.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.869 0.366 . . . . 0.0 110.842 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 p -81.81 -7.87 59.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.795 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.99 140.02 3.22 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.5 p -166.45 117.77 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.868 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.0 p -105.45 42.28 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.68 125.83 5.73 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.9 m -118.39 -40.73 2.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 0.0 111.119 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.94 89.21 0.91 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -124.7 73.85 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.915 0.388 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -114.43 158.85 38.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.575 0.703 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -27.31 26.76 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.364 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 65.0 m-85 -116.73 98.93 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -121.86 124.08 43.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.4 t -70.99 127.91 34.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.69 35.6 1.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -123.18 -50.23 1.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.9 p -114.36 -47.89 2.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.75 50.3 0.2 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -129.0 134.69 48.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.5 p -105.08 159.51 15.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.846 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.547 ' CD2' ' HA ' ' A' ' 28' ' ' LEU . 97.7 m-85 -134.93 156.9 48.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 t -68.45 -50.7 50.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 pt -117.33 167.96 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.56 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 51.3 p -64.94 -58.48 6.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 25' ' ' SER . 3.4 m -36.74 -52.19 0.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.864 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -53.16 -56.62 14.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.547 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 15.5 tp -51.69 -46.26 63.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.63 -46.11 73.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.9 m -62.11 -15.61 46.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 33' ' ' ARG . 27.9 t60 -92.14 -62.79 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -43.89 -22.24 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 34' ' ' ILE . 22.3 ptt180 -51.87 -38.47 56.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.42 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 5.8 pt -69.1 -17.92 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -88.73 -37.26 15.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.6 p -78.1 -45.07 24.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.66 74.93 1.29 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.48 69.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.882 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.76 144.05 47.1 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.598 0.713 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -6.04 17.6 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.351 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.2 m 65.37 38.82 5.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.58 147.44 7.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.431 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.2 Cg_endo -69.8 2.61 3.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 43' ' ' PRO . 1.4 t -34.57 -44.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.812 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.1 p -165.66 143.41 5.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.455 -179.983 . . . . . . . . 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 -0.302 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m -87.85 109.66 19.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.836 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.1 m -94.35 85.09 4.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.88 128.95 2.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 6' ' ' SER . 65.9 p -64.09 109.94 2.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.867 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 5' ' ' SER . 2.1 m -35.49 -47.01 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.75 156.77 7.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.503 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -130.18 38.82 3.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 111.155 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.7 62.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.537 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -77.8 -26.86 49.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -140.82 146.72 45.35 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.521 0.677 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -19.86 35.52 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.65 2.233 . . . . 0.0 112.367 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.548 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 69.7 m-85 -128.59 91.39 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -111.49 121.93 46.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.9 t -58.51 125.06 21.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.3 40.3 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.066 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -126.68 -46.05 1.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -120.32 -46.32 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.5 35.61 0.28 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -95.59 155.01 16.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.7 p -128.17 157.39 40.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.442 ' CE1' HD12 ' A' ' 28' ' ' LEU . 38.2 m-85 -153.98 170.44 21.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.0 m -87.16 -55.73 3.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.1 pt -112.17 168.54 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.167 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 35.1 p -60.15 -57.6 12.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 25' ' ' SER . 2.8 m -35.31 -46.64 0.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -60.06 -49.44 77.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.442 HD12 ' CE1' ' A' ' 22' ' ' PHE . 56.6 tp -61.41 -47.31 86.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.36 -53.43 54.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.0 m -56.34 -17.09 6.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 33' ' ' ARG . 31.1 t60 -92.03 -65.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -42.3 -23.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 34' ' ' ILE . 42.5 ptt85 -49.04 -41.66 35.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.455 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 8.8 pt -64.8 -23.37 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -84.74 -32.67 23.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.7 t -101.32 153.23 19.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.02 -92.31 0.22 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.473 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -125.98 141.82 51.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.946 0.403 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.462 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 21.9 ttmt -173.65 140.54 0.84 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.561 0.696 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.77 90.09 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.63 2.22 . . . . 0.0 112.364 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.3 p -106.21 105.03 14.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 60.54 -158.16 28.18 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -7.72 21.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.367 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.7 m -45.62 151.24 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 t -83.32 136.08 34.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.503 -179.985 . . . . . . . . 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 1.452 -0.3 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 m -146.81 167.97 22.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.357 . . . . 0.0 110.906 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.2 p -130.58 141.65 50.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.94 -129.87 0.1 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -167.43 156.0 9.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.838 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 t -89.04 122.9 32.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.5 74.61 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.8 p -96.31 88.9 4.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.33 . . . . 0.0 111.083 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.59 78.5 0.12 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -72.41 166.47 22.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.914 0.388 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.406 ' CD ' ' O ' ' A' ' 22' ' ' PHE . 42.2 mttm -81.86 153.55 70.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.551 0.691 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -2.96 11.04 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.736 2.291 . . . . 0.0 112.312 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -137.41 108.33 6.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -134.65 116.58 15.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.0 t -51.38 128.88 23.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.91 34.74 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' OE2' ' CB ' ' A' ' 35' ' ' HIS . 47.4 mt-10 -124.0 -50.99 1.8 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.6 p -111.02 -50.51 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.46 48.18 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -112.53 141.39 46.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.896 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.0 p -108.14 144.98 34.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CE1' HD12 ' A' ' 28' ' ' LEU . 5.6 m-85 -134.81 168.4 19.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.4 m -92.44 -53.13 4.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.2 pt -103.15 163.84 3.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 26' ' ' SER . 24.2 t -67.77 -56.25 9.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' SER . 48.4 t -37.85 -58.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -44.76 -59.47 2.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.566 HD12 ' CE1' ' A' ' 22' ' ' PHE . 10.4 tp -49.89 -52.71 30.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.56 -48.86 65.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.7 m -62.26 -16.57 54.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.42 ' CD2' ' C ' ' A' ' 31' ' ' HIS . 1.9 t60 -92.39 -48.22 6.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -51.92 -24.68 6.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.4 ptt85 -54.65 -37.07 65.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.41 HG13 ' N ' ' A' ' 35' ' ' HIS . 11.9 pt -52.17 -34.99 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CB ' ' OE2' ' A' ' 17' ' ' GLU . 78.9 m-70 -78.26 -32.87 49.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 77.8 p -97.21 42.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.72 -153.22 11.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -109.83 81.26 1.41 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.952 0.406 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -151.75 149.47 23.95 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 92.47 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.71 2.274 . . . . 0.0 112.368 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 42' ' ' GLY . 31.4 t -124.84 139.66 53.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' SER . . . 36.33 72.07 0.16 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.521 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -45.29 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.31 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.1 m -66.25 156.95 32.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 86.8 p -106.24 42.01 1.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.792 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.479 -179.988 . . . . . . . . 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 -0.329 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 p -160.65 147.33 15.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.838 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.2 p -63.84 120.46 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.61 -98.04 0.11 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 t 38.03 41.94 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 110.864 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -134.78 129.03 33.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.37 79.7 0.88 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.446 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.6 p -119.8 -48.5 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.27 134.81 8.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.45 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.444 ' CD ' ' O ' ' A' ' 10' ' ' GLU . 2.8 pp20? -136.29 131.29 34.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -125.49 143.97 46.42 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.586 0.708 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -16.84 37.57 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.371 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 84.0 m-85 -118.16 97.15 5.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -122.38 149.95 43.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.2 t -87.2 124.29 33.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.1 35.91 1.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.106 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -125.55 -60.96 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.1 p -91.77 -47.78 7.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.21 40.13 0.45 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.466 ' NZ ' ' CE1' ' A' ' 31' ' ' HIS . 21.9 mtmt -117.53 171.92 7.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.2 m -133.46 164.82 26.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -145.43 157.88 43.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 m -83.37 -46.65 12.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.8 pt -108.25 168.69 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 44.0 p -77.17 -21.48 53.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -71.49 -46.79 58.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -54.53 -41.75 70.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 tp -71.52 -47.49 54.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.06 -47.62 71.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.404 ' C ' ' HG3' ' A' ' 33' ' ' ARG . 25.0 m -70.82 -11.09 60.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 33' ' ' ARG . 32.1 t60 -90.35 -59.81 2.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' HIS . 32.6 mt-30 -37.06 -29.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 31' ' ' HIS . 16.4 mtm180 -47.1 -50.9 19.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -52.15 -24.75 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.189 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.453 ' N ' HG13 ' A' ' 34' ' ' ILE . 63.4 m-70 -87.75 -31.34 19.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.1 p -90.79 36.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.151 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.91 -49.6 3.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -72.23 135.8 46.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.959 0.409 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' CD ' ' HD2' ' A' ' 40' ' ' PRO . 15.8 tptm -103.66 138.11 19.44 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.563 0.697 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.467 ' HD2' ' CD ' ' A' ' 39' ' ' LYS . 53.2 Cg_endo -69.81 110.83 2.66 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -113.11 102.32 10.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -156.46 73.46 0.24 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.531 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 165.69 30.11 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.715 2.277 . . . . 0.0 112.35 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.1 t -157.86 132.42 8.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.6 p -60.07 154.25 19.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.525 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -153.26 126.28 8.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.914 0.387 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -112.89 142.1 45.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.54 156.86 8.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.46 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.7 p -156.36 164.63 38.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -128.59 -50.88 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.36 114.45 0.62 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.6 p -86.02 39.27 0.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.801 0.334 . . . . 0.0 111.106 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.16 176.04 23.33 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -90.2 123.71 34.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.93 0.395 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -123.41 84.32 52.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -25.32 28.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.27 . . . . 0.0 112.345 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -120.07 123.89 44.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -140.4 123.13 16.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.2 t -65.88 158.82 26.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.42 -35.85 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.104 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.548 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 6.3 mm-40 -48.44 -40.3 25.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.8 p -118.09 -47.8 2.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.57 55.04 0.36 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -118.45 154.95 31.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.483 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 53.9 p -113.82 156.59 23.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 21' ' ' SER . 11.2 m-85 -147.37 159.49 43.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 m -83.24 -48.28 10.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.4 pt -113.91 177.33 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.154 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 26' ' ' SER . 59.5 p -78.52 -59.31 2.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' SER . 1.1 t -35.57 -50.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -52.52 -57.56 9.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp -53.85 -48.39 70.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.47 -51.22 56.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.5 m -59.49 -17.32 30.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 33' ' ' ARG . 7.3 t60 -91.98 -57.03 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -38.34 -26.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' HIS . 2.1 mtm105 -52.12 -46.85 65.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.8 pt -48.45 -26.73 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 92.2 m-70 -83.24 17.56 2.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 33' ' ' ARG . 6.6 p -58.51 -59.6 5.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.93 109.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -84.19 38.68 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.929 0.395 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -165.06 136.77 3.33 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.56 0.695 . . . . 0.0 110.954 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 91.44 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.4 p -114.41 173.19 6.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.82 172.42 55.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.532 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -172.39 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.8 m -131.89 155.38 47.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -96.71 155.25 16.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.465 -179.978 . . . . . . . . 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 -0.322 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -96.26 89.2 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -128.35 -60.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.03 96.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.546 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -87.17 132.16 33.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.373 . . . . 0.0 110.835 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 m -152.07 178.1 9.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.4 150.2 6.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 t -100.05 -29.54 12.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.823 0.344 . . . . 0.0 111.14 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 164.83 -41.99 0.3 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 63.42 49.07 3.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -99.77 144.09 27.69 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.568 0.699 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -29.1 24.25 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.233 . . . . 0.0 112.346 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -88.34 95.23 10.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -115.32 136.12 53.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -73.49 158.05 35.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.06 -16.55 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.561 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.0 mm-40 -80.15 -42.17 23.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.2 p -117.03 -43.57 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.11 5.58 17.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.507 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -79.09 135.97 37.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.338 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.4 p -92.4 172.12 8.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -149.85 149.81 31.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.2 m -63.74 -48.2 77.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.0 pt -118.79 -179.42 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' LEU . 12.9 t -79.4 -56.17 4.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' SER . 3.4 m -37.42 -46.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -60.89 -44.17 97.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' SER . 26.7 tp -65.83 -51.2 60.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.01 -52.54 64.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.415 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 5.0 m -64.49 -10.47 25.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -92.11 -55.89 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -51.07 -18.72 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 34' ' ' ILE . 4.9 ppt_? -61.52 -38.29 86.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.464 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 6.6 pt -61.98 -26.83 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.561 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 32.9 m-70 -69.65 -25.18 63.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.1 p -99.18 50.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 169.21 52.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.497 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -124.01 -12.88 7.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.916 0.388 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -103.03 144.2 28.15 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.555 0.693 . . . . 0.0 110.947 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -35.21 12.99 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.325 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.1 t 66.0 37.57 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.823 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.6 146.2 16.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -176.5 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.349 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.3 t -93.96 83.72 4.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.811 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 m -163.23 162.28 25.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.832 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.444 -179.937 . . . . . . . . 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 -0.337 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -123.17 106.7 10.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 t -165.86 142.05 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.97 -112.99 0.58 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -117.28 136.09 53.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -143.51 106.75 4.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.17 128.04 2.07 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.51 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 t -127.77 -28.52 2.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.822 0.344 . . . . 0.0 111.12 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.1 99.31 0.25 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.515 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -115.04 78.3 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.367 . . . . 0.0 110.903 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -125.49 155.57 71.74 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.548 0.689 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -8.89 24.75 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 84.9 m-85 -134.53 109.98 9.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -131.21 142.44 50.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.1 t -83.35 123.51 29.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.34 40.04 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -127.02 -54.67 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.8 p -107.48 -47.75 3.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.54 56.51 0.16 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.497 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -135.21 121.96 20.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.2 m -90.91 163.49 14.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -146.01 146.68 31.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.6 m -71.81 -45.18 62.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 pt -115.26 151.7 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 16.2 t -56.22 -60.1 3.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 25' ' ' SER . 71.8 m -35.75 -52.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.816 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -48.32 -46.3 36.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.453 HD22 ' NE2' ' A' ' 32' ' ' GLN . 21.5 tp -62.55 -47.58 83.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.84 -53.87 35.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.076 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.407 ' C ' ' HG3' ' A' ' 33' ' ' ARG . 20.2 m -51.34 -22.21 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.179 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.473 ' O ' ' N ' ' A' ' 33' ' ' ARG . 21.7 t60 -91.33 -56.96 2.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.802 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.453 ' NE2' HD22 ' A' ' 28' ' ' LEU . 83.4 mt-30 -40.03 -25.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.488 ' O ' ' CG2' ' A' ' 36' ' ' THR . 8.2 mtm180 -52.17 -45.49 65.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -68.39 -21.62 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 36' ' ' THR . 15.4 m-70 -77.78 -37.91 47.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 33' ' ' ARG . 14.8 t -33.86 128.15 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . 173.22 83.7 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 37' ' ' GLY . 14.4 mt-10 -36.84 136.84 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.435 ' CD ' ' HD2' ' A' ' 40' ' ' PRO . 15.4 tptm -147.83 137.31 12.06 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.613 0.721 . . . . 0.0 110.846 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.435 ' HD2' ' CD ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.72 98.03 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.728 2.285 . . . . 0.0 112.39 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.3 m -54.33 -41.41 69.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 139.16 -158.2 25.21 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -171.69 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.303 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.9 m 53.7 45.79 27.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 55.6 m -106.71 94.35 5.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.469 -179.971 . . . . . . . . 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 -0.357 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.7 p 38.7 42.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m -75.29 -46.48 33.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.94 168.02 0.31 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.6 p -169.01 168.27 10.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.87 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -110.83 112.54 24.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.94 120.95 5.17 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.455 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -134.73 43.64 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 111.132 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.22 104.64 0.71 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -130.08 46.38 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.936 0.398 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -101.75 154.46 37.29 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.579 0.704 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -20.95 34.17 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.697 2.264 . . . . 0.0 112.324 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.503 ' CE2' ' HA ' ' A' ' 24' ' ' ILE . 73.8 m-85 -121.09 123.97 43.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -141.62 119.69 12.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.5 t -68.67 147.23 52.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -105.38 -27.12 11.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.532 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 33.4 mm-40 -54.43 -57.17 12.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.5 p -106.66 -46.11 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.77 33.27 0.94 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.49 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 22.4 mtpt -95.25 175.28 6.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.81 0.338 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.401 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 88.4 p -135.48 166.7 22.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.418 ' CZ ' ' CB ' ' A' ' 31' ' ' HIS . 86.4 m-85 -152.45 171.18 18.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.8 t -83.6 -42.47 16.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.503 ' HA ' ' CE2' ' A' ' 13' ' ' PHE . 1.9 pp -141.12 170.87 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 28' ' ' LEU . 13.1 p -59.06 -63.97 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.48 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . 1.5 m -32.94 -36.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 25' ' ' SER . 32.8 mt-30 -80.46 -46.52 15.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 25' ' ' SER . 19.6 tp -59.01 -42.31 89.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.76 -52.48 65.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.4 m -49.25 -19.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.49 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 42.5 t60 -91.98 -65.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -42.81 -24.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 31' ' ' HIS . 23.4 ptt85 -46.82 -34.99 5.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.466 HG13 ' N ' ' A' ' 35' ' ' HIS . 16.4 pt -73.29 -28.57 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.532 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 56.3 m-70 -77.18 -30.55 54.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.9 p -95.65 -19.09 20.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.16 -89.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -99.11 89.45 4.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.899 0.38 . . . . 0.0 110.896 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 21.9 tttt -168.41 139.72 2.2 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.561 0.696 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.2 Cg_endo -69.77 117.81 5.31 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.728 2.285 . . . . 0.0 112.316 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.1 p -44.4 148.19 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.58 75.18 0.58 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -40.54 5.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.724 2.283 . . . . 0.0 112.322 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.2 p -151.2 149.66 29.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 65.0 m -49.93 -58.64 5.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.827 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.479 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.5 m -66.56 173.16 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.873 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.3 p -81.08 -37.62 28.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.29 -77.52 0.36 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 t -97.02 97.0 8.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.841 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.6 p -79.04 117.82 20.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.5 128.95 9.2 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.433 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -101.22 -41.34 6.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 111.101 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.34 160.77 1.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -132.56 153.97 50.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -137.01 146.34 54.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -7.31 20.73 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.732 2.288 . . . . 0.0 112.3 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -128.54 94.96 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -143.88 123.82 13.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.1 t -66.04 134.72 53.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.13 -34.83 15.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -50.08 -60.38 3.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -95.25 -47.05 6.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.25 37.78 1.31 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.535 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.485 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 13.7 tptm -101.95 127.84 48.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.76 0.314 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.6 p -101.04 148.38 25.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.813 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.485 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 96.5 m-85 -136.36 162.66 32.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.935 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 t -85.17 -42.77 14.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 pt -116.0 138.65 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.169 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 26' ' ' SER . 3.4 t -44.18 -56.9 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' SER . 47.6 t -34.04 -59.18 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.847 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.481 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 12.2 mm100 -44.66 -47.67 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' SER . 25.1 tp -58.41 -53.09 62.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.31 -47.1 69.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.0 m -64.6 -13.12 51.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.136 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.417 ' CD2' ' N ' ' A' ' 32' ' ' GLN . 2.9 t60 -92.92 -57.22 2.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.417 ' N ' ' CD2' ' A' ' 31' ' ' HIS . 55.6 mt-30 -45.67 -24.92 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.7 ptt85 -48.75 -33.37 10.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.442 HG13 ' N ' ' A' ' 35' ' ' HIS . 15.0 pt -71.53 -31.25 42.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.442 ' N ' HG13 ' A' ' 34' ' ' ILE . 50.8 m-70 -69.0 -36.87 78.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.0 t -83.16 144.6 29.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.07 86.69 1.94 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -108.85 178.89 4.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -58.11 154.02 32.33 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 2.32 3.66 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.633 2.222 . . . . 0.0 112.362 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.9 t -94.55 148.98 21.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.18 -88.1 1.94 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 158.57 56.4 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.302 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -110.04 96.71 6.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.9 p -125.1 -24.39 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.836 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.486 -179.97 . . . . . . . . 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 1.452 -0.276 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -108.1 126.43 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -143.04 170.83 14.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 124.73 -54.52 0.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.463 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 4' ' ' GLY . 66.6 m -37.02 -59.18 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.863 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.2 p -54.94 131.39 44.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.51 78.91 1.42 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.7 m -115.17 85.2 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 111.15 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.07 124.24 2.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.537 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -88.18 53.73 2.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.379 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -76.22 143.9 74.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.525 0.679 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -26.27 27.91 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -98.71 120.99 40.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -142.3 115.47 8.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -52.66 134.15 36.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.22 31.02 4.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.051 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -119.54 -49.79 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.8 p -112.55 -48.54 3.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.06 51.97 0.13 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.29 174.32 5.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.846 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.5 p -139.37 153.43 47.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -147.45 160.17 42.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.3 t -83.51 -42.19 17.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.2 pt -120.13 144.45 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.148 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.1 t -55.65 -48.4 75.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.7 p -41.33 -41.88 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.808 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -68.54 -51.77 39.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 tp -51.94 -54.85 24.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.1 -51.39 10.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.494 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 96.8 m -55.21 -39.83 70.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.494 ' CE1' HD11 ' A' ' 34' ' ' ILE . 1.5 t60 -68.97 -40.46 78.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -52.71 -16.52 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 30' ' ' THR . 0.3 OUTLIER -63.24 -31.96 73.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.494 HD11 ' CE1' ' A' ' 31' ' ' HIS . 10.3 pt -59.29 -20.29 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.176 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -96.46 -31.45 12.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.0 t -123.28 104.39 9.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.04 -33.82 2.85 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -55.38 -14.07 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.963 0.411 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -170.87 141.85 1.5 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -14.27 35.77 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.3 t -52.14 -54.7 27.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.12 -101.59 0.31 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 144.45 53.84 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.33 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.4 p -135.31 135.58 40.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -96.25 88.55 4.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.496 -179.999 . . . . . . . . 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 -0.32 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 m -148.7 160.89 42.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.2 p -108.1 135.06 50.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.84 -127.13 1.62 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -86.19 -54.04 4.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.899 0.381 . . . . 0.0 110.886 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m 58.47 41.28 22.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.1 161.61 34.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.531 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.8 t -104.46 39.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 111.145 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.86 117.55 5.36 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.491 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -123.75 -26.39 4.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.952 0.406 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 17.6 mtmt -51.8 138.27 33.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.569 0.7 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -22.62 31.49 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.625 2.217 . . . . 0.0 112.358 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 78.9 m-85 -115.25 110.76 19.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -144.14 144.41 31.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.7 t -85.14 137.34 33.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -107.8 35.22 3.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -123.97 -61.17 1.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.2 p -92.14 -50.85 5.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.27 51.61 0.21 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.544 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -133.54 124.63 27.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.8 p -100.2 163.49 12.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.433 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 98.0 m-85 -137.05 174.81 10.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -92.76 -47.81 6.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.0 pt -112.18 179.38 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 36.7 t -78.85 -58.56 3.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.825 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.8 t -37.74 -39.58 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -67.95 -46.9 70.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 25' ' ' SER . 40.1 tp -61.7 -52.98 62.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.74 -55.97 14.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.465 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 9.9 m -51.96 -20.14 2.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.499 ' CE1' HD12 ' A' ' 34' ' ' ILE . 2.9 t60 -92.1 -48.28 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -50.41 -29.16 9.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 30' ' ' THR . 3.4 ppt_? -53.43 -30.61 41.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.499 HD12 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -56.34 -46.44 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.487 ' N ' ' CG1' ' A' ' 34' ' ' ILE . 74.2 m-70 -77.47 -27.76 52.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.22 97.86 8.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.15 -81.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -103.19 77.23 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.934 0.397 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -173.89 142.55 0.9 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 129.17 17.19 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.354 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.9 p -100.15 115.74 30.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -149.42 84.82 0.16 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.44 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.5 Cg_endo -69.8 179.98 3.34 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.646 2.231 . . . . 0.0 112.321 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 43' ' ' PRO . 27.0 t -34.54 -56.29 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.3 m -100.35 133.92 44.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.487 -179.995 . . . . . . . . 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 -0.338 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 p -76.43 153.0 36.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 110.875 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -113.92 146.24 40.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.59 -160.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -96.35 -45.58 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 0.0 110.859 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -71.58 128.6 36.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.88 -71.39 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.8 p 42.67 40.15 1.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.77 0.319 . . . . 0.0 111.136 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.19 155.88 12.22 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -152.38 128.55 10.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.951 0.405 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -107.24 84.56 1.75 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.569 0.699 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -20.06 35.19 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.715 2.277 . . . . 0.0 112.341 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.462 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 61.0 m-85 -101.11 89.84 3.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -124.28 111.57 15.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.1 t -53.92 121.96 9.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.55 38.5 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -124.66 -55.06 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.1 p -103.81 -47.21 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.26 53.32 0.14 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.505 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -128.15 173.54 10.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.827 0.346 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -139.98 169.19 18.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -151.16 164.18 37.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.6 m -80.7 -50.44 9.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.5 pt -119.32 163.68 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.462 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 70.2 p -59.74 -55.92 28.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' SER . 3.3 t -35.37 -50.37 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -57.37 -47.44 81.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 25' ' ' SER . 41.0 tp -57.46 -48.54 78.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.64 -43.99 76.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 m -63.6 -14.76 54.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -91.98 -50.67 5.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -49.13 -18.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.44 ' HD3' ' N ' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -54.96 -36.77 65.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.44 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 6.1 pt -82.35 -9.83 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -96.59 -35.66 10.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.8 t -76.72 65.67 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.25 -48.97 0.11 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -100.74 68.21 1.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.902 0.382 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.43 136.17 37.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.9 Cg_endo -69.78 146.82 61.25 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.655 2.237 . . . . 0.0 112.356 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 40' ' ' PRO . 63.2 p -35.46 105.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -157.64 -158.1 8.78 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 168.89 20.17 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.742 2.295 . . . . 0.0 112.371 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.2 p -78.56 141.4 38.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 46' ' ' GLY . 14.4 m -118.09 158.38 25.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.841 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.528 -179.987 . . . . . . . . 1 1 . 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 -0.329 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 t -152.91 138.47 17.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.367 . . . . 0.0 110.842 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -152.6 149.39 28.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.33 96.12 0.11 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -156.26 140.3 16.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.853 0.359 . . . . 0.0 110.86 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -170.24 174.42 5.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.83 66.93 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.6 p -39.32 -50.38 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 111.081 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.17 146.82 41.74 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -88.84 140.66 29.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.897 0.379 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -124.8 82.69 60.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.537 0.685 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -5.67 16.77 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.369 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -137.29 116.7 12.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -133.57 130.25 38.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.1 t -72.33 123.58 23.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.43 39.08 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.564 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 13.6 mm-40 -125.72 -57.79 1.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -100.44 -46.64 5.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.22 41.74 0.27 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -113.75 172.04 7.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.764 0.316 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.7 m -141.91 164.06 31.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -149.24 -176.41 5.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 t -110.91 -46.95 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.3 pt -109.74 170.69 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 26' ' ' SER . 14.0 m -71.34 -57.79 4.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 25' ' ' SER . 3.9 m -35.48 -51.32 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -52.1 -59.88 3.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.2 tp -55.33 -47.34 75.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.55 -46.93 19.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.083 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.505 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 53.1 m -59.12 -61.43 2.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.18 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.558 ' CE1' HD13 ' A' ' 34' ' ' ILE . 77.3 t60 -49.16 -47.35 45.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -46.58 -21.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -53.28 -39.99 64.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.558 HD13 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -77.86 -7.08 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 67.9 m-70 -104.72 -28.53 11.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.9 p -91.59 163.16 14.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.57 -150.21 18.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -71.18 166.51 21.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.6 tptt -119.7 133.66 23.86 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.575 0.702 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 170.02 17.6 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 0.0 112.321 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.8 t -42.37 142.27 0.82 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.72 -158.21 12.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.455 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -173.9 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 2.231 . . . . 0.0 112.362 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.7 m -156.6 154.27 29.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.8 m -90.93 161.1 15.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.821 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.485 -179.942 . . . . . . . . 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 -0.336 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -74.85 81.23 2.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.87 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.7 p -107.94 137.06 46.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.69 -133.0 2.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.444 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -101.15 86.85 3.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.0 p -120.2 150.67 40.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.825 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.52 175.27 25.5 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.51 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.7 m -90.07 -57.6 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 111.139 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.05 87.2 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.52 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -87.64 103.04 15.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -134.92 130.81 19.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.593 0.711 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -31.03 21.23 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.691 2.261 . . . . 0.0 112.333 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.545 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 94.1 m-85 -127.01 95.96 4.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -144.06 147.38 33.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -75.54 123.18 25.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.58 33.67 2.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -122.18 -58.99 1.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.6 p -87.08 -54.92 4.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.51 44.4 0.11 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -125.17 158.97 32.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.774 0.321 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.9 p -131.32 160.35 35.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -138.77 -178.3 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -99.64 -47.67 5.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.5 pt -115.73 168.52 7.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.185 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.545 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 88.4 p -62.86 -60.83 2.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 25' ' ' SER . 5.5 t -34.9 -56.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -50.38 -48.87 55.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.21 -58.27 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.99 -53.48 16.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.478 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 73.0 m -52.94 -21.68 4.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -92.17 -48.1 6.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.823 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -50.84 -25.49 4.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 30' ' ' THR . 5.6 ppt_? -56.56 -29.17 61.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.463 HG22 ' NE ' ' A' ' 33' ' ' ARG . 7.9 pt -64.03 -32.95 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.137 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -75.99 -33.89 59.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.58 111.91 24.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.3 38.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.7 86.03 7.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.943 0.401 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -109.51 76.11 0.83 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.709 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -39.51 6.33 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.689 2.26 . . . . 0.0 112.364 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -169.07 152.08 4.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.89 -76.25 1.3 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 165.51 30.73 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.713 2.276 . . . . 0.0 112.343 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 m -69.08 90.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.7 t -95.78 -60.46 1.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.81 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.484 -179.947 . . . . . . . . 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 1.452 -0.274 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -92.72 111.83 23.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.373 . . . . 0.0 110.916 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 p -126.15 162.38 25.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.31 134.22 7.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.449 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -119.21 42.62 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.377 . . . . 0.0 110.88 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -91.1 96.61 10.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.03 155.61 18.67 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.4 t -97.04 39.71 1.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.767 0.318 . . . . 0.0 111.107 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.16 157.45 24.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -124.49 143.68 50.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.936 0.398 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -124.18 144.01 44.29 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.578 0.704 . . . . 0.0 110.935 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -21.69 33.27 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.704 2.27 . . . . 0.0 112.353 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' A' ' 24' ' ' ILE . 70.5 m-85 -121.33 109.08 14.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -136.82 116.48 12.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.3 t -57.03 130.32 45.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.35 30.38 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -120.84 -55.69 1.98 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -102.11 -45.53 5.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.37 49.95 0.29 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.488 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -120.6 153.73 36.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.848 0.356 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 74.0 p -121.23 144.64 48.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CD1' HD13 ' A' ' 28' ' ' LEU . 90.2 m-85 -122.67 -178.27 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.1 m -99.88 -36.26 9.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.567 ' HA ' ' CE2' ' A' ' 13' ' ' PHE . 1.9 pp -143.21 151.55 17.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 26' ' ' SER . 2.5 p -46.6 -58.06 4.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.486 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . 0.7 OUTLIER -33.0 -44.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 -179.808 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -75.55 -48.67 21.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.57 HD13 ' CD1' ' A' ' 22' ' ' PHE . 25.7 tp -51.9 -44.63 63.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.77 -52.22 66.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.073 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.1 m -47.27 -30.97 3.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -77.06 -50.05 13.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -48.57 -19.01 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -59.3 -51.96 67.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.3 pt -63.26 -13.08 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -89.09 -37.73 14.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.812 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.1 p -81.32 82.23 7.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.162 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.35 -117.2 0.58 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.461 ' CD ' ' C ' ' A' ' 38' ' ' GLU . 1.7 tm-20 -101.55 120.78 40.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.877 0.37 . . . . 0.0 110.904 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 pttp -145.45 148.18 36.28 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.585 0.707 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 -174.53 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.683 2.256 . . . . 0.0 112.33 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.8 t -155.15 141.01 18.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -159.29 -72.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.517 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 149.26 66.62 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.6 t -60.94 169.03 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.7 p 41.69 42.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.494 179.99 . . . . . . . . 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 1.452 -0.292 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -55.07 -62.95 1.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 m -56.32 176.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.79 -62.13 0.14 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.506 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.4 p -130.43 119.88 23.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -122.47 150.76 42.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.83 -160.26 33.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.9 p -111.03 14.26 21.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.803 0.335 . . . . 0.0 111.099 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.71 86.11 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 11' ' ' LYS . 80.6 mm-40 -53.05 121.43 7.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.962 0.41 . . . . 0.0 110.864 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -33.6 96.84 0.1 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.582 0.706 . . . . 0.0 110.906 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.417 ' N ' ' O ' ' A' ' 10' ' ' GLU . 53.5 Cg_endo -69.85 -2.13 9.72 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.718 2.278 . . . . 0.0 112.277 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 32.8 m-85 -139.36 113.3 8.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.408 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 13.4 mp0 -124.31 133.46 53.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.4 t -71.06 120.04 16.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.17 38.71 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -128.26 -60.35 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.0 p -96.65 -47.24 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.49 52.08 0.24 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -128.56 132.98 48.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.417 ' HB2' ' CB ' ' A' ' 11' ' ' LYS . 53.4 p -94.8 157.66 15.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.419 ' CE2' HD13 ' A' ' 28' ' ' LEU . 89.6 m-85 -140.3 145.05 36.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.9 t -74.33 -38.19 63.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 pt -122.04 154.94 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.484 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 77.8 p -62.16 -50.04 73.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 t -39.74 -58.09 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -45.19 -54.61 6.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.419 HD13 ' CE2' ' A' ' 22' ' ' PHE . 51.8 tp -49.87 -36.26 26.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.9 -50.67 63.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.5 m -66.6 -10.98 51.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -92.18 -59.84 2.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -46.91 -20.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -54.13 -14.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.0 pt -91.02 -23.33 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -81.73 16.25 1.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.0 p -99.52 30.16 3.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.45 173.32 7.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -112.19 -10.1 13.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -62.75 142.34 97.09 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.561 0.695 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 154.84 67.14 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.366 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.4 t -116.78 38.61 3.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.12 -86.84 1.82 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 126.09 12.91 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.244 . . . . 0.0 112.353 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.4 m -45.37 103.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 90.7 p -117.66 42.28 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.47 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 N--CA 1.465 -0.15 0 CA-C-O 120.848 0.27 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -106.63 82.66 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -104.66 148.08 26.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.7 t -101.4 123.34 45.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.31 36.71 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -121.34 -43.03 2.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.2 p -124.19 -41.24 2.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.73 37.89 0.53 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -106.35 176.44 5.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 87.7 p -155.38 161.31 41.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -148.25 174.11 12.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.6 m -92.25 -51.8 4.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.5 pt -109.5 174.17 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 28' ' ' LEU . 6.5 t -67.98 -59.09 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' SER . 15.1 m -34.62 -46.56 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.62 -47.67 84.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' SER . 54.3 tp -62.87 -40.47 97.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.73 -58.22 9.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.415 ' C ' ' HG3' ' A' ' 33' ' ' ARG . 33.5 m -51.36 -17.58 0.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 33' ' ' ARG . 75.2 t60 -91.54 -58.0 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -39.58 -25.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 31' ' ' HIS . 11.8 mtm180 -49.39 -53.95 19.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.3 pt -56.54 -13.48 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.87 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.787 0.245 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -124.77 107.71 11.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -133.21 122.64 24.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.0 t -80.47 131.52 35.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -104.82 7.0 34.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.48 ' HB3' ' CD2' ' A' ' 35' ' ' HIS . 22.2 mt-10 -86.95 -39.96 15.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.7 p -127.1 -35.13 2.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.44 60.69 0.49 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -131.27 166.83 20.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.32 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.7 p -133.32 163.99 28.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -148.84 175.46 11.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.5 t -107.8 -17.52 14.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.716 HD11 ' OE1' ' A' ' 27' ' ' GLN . 1.7 pt -141.71 152.49 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.2 t -62.79 -38.53 91.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 t -53.03 -41.59 64.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.716 ' OE1' HD11 ' A' ' 24' ' ' ILE . 29.8 mt-30 -72.52 -44.13 62.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.5 tp -58.58 -44.85 89.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.42 -57.76 10.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.079 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.7 m -52.05 -17.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.402 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.6 t60 -90.23 -40.22 12.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.793 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -55.48 -20.82 13.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.0 mtt-85 -64.66 -45.64 85.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 31' ' ' HIS . 2.3 pt -48.33 -24.24 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.48 ' CD2' ' HB3' ' A' ' 17' ' ' GLU . 74.3 m80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.765 0.235 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.512 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 64.5 m-85 -105.78 106.34 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -132.83 134.37 44.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.4 t -84.23 134.57 34.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -108.64 42.81 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -129.88 -58.16 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -107.31 -45.22 4.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.91 55.92 0.17 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -134.23 143.11 47.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.802 0.335 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.7 m -119.24 165.26 14.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -141.06 169.57 17.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.9 m -91.4 -35.43 14.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.41 142.79 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.177 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.512 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 1.1 t -54.17 -35.62 62.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.5 p -51.41 -52.57 44.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -61.07 -49.95 75.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 tp -52.12 -53.94 36.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.64 -45.8 58.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.5 m -61.3 -27.66 68.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -76.77 -41.19 45.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -55.03 -14.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -62.04 -52.05 65.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -61.1 -11.61 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.919 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.495 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.849 0.27 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 31.7 m-85 -148.77 112.82 5.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -143.81 158.44 43.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.2 t -95.43 132.3 40.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -106.27 36.46 2.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -125.26 -58.05 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -98.88 -45.72 5.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.84 70.3 0.29 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -146.59 116.79 7.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.822 0.344 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.7 p -98.12 153.76 18.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.447 ' CD1' ' HB3' ' A' ' 27' ' ' GLN . 78.2 m-85 -134.06 -177.67 4.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 t -101.41 -42.75 6.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.6 pt -120.8 -179.92 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.427 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 8.7 t -76.23 -50.17 15.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -44.14 -32.19 1.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.447 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 41.5 mm-40 -71.29 -51.52 23.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.0 tp -64.17 -33.27 75.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.29 -48.54 79.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.125 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.409 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 1.6 m -63.83 -17.78 63.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -90.88 -41.44 11.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -56.33 -13.59 2.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.409 ' NE ' ' HA ' ' A' ' 30' ' ' THR . 27.7 mtt-85 -65.38 -50.34 65.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.7 pt -64.93 -8.08 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.833 179.906 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.869 0.279 . . . . 0.0 112.364 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 65.0 m-85 -116.73 98.93 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -121.86 124.08 43.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.4 t -70.99 127.91 34.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.69 35.6 1.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -123.18 -50.23 1.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.9 p -114.36 -47.89 2.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.75 50.3 0.2 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -129.0 134.69 48.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.5 p -105.08 159.51 15.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.846 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.551 ' CD2' ' HA ' ' A' ' 28' ' ' LEU . 97.7 m-85 -134.93 156.9 48.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 t -68.45 -50.7 50.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 pt -117.33 167.96 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 51.3 p -64.94 -58.48 6.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 25' ' ' SER . 3.4 m -36.74 -52.19 0.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.864 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -53.16 -56.62 14.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.551 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 15.5 tp -51.69 -46.26 63.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.63 -46.11 73.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.9 m -62.11 -15.61 46.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 33' ' ' ARG . 27.9 t60 -92.14 -62.79 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -43.89 -22.24 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 34' ' ' ILE . 22.3 ptt180 -51.87 -38.47 56.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.437 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 5.8 pt -69.1 -17.92 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.912 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.847 0.269 . . . . 0.0 112.367 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 69.7 m-85 -128.59 91.39 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -111.49 121.93 46.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.9 t -58.51 125.06 21.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.3 40.3 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.066 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -126.68 -46.05 1.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -120.32 -46.32 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.5 35.61 0.28 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -95.59 155.01 16.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.7 p -128.17 157.39 40.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -153.98 170.44 21.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.0 m -87.16 -55.73 3.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.1 pt -112.17 168.54 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.167 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 35.1 p -60.15 -57.6 12.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 25' ' ' SER . 2.8 m -35.31 -46.64 0.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -60.06 -49.44 77.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 25' ' ' SER . 56.6 tp -61.41 -47.31 86.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.36 -53.43 54.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.0 m -56.34 -17.09 6.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 33' ' ' ARG . 31.1 t60 -92.03 -65.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -42.3 -23.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 34' ' ' ILE . 42.5 ptt85 -49.04 -41.66 35.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.471 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 8.8 pt -64.8 -23.37 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.411 ' N ' HG13 ' A' ' 34' ' ' ILE . 29.3 m-70 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.202 0 CA-C-O 120.81 0.254 . . . . 0.0 112.312 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -137.41 108.33 6.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -134.65 116.58 15.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.0 t -51.38 128.88 23.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.91 34.74 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' OE2' ' CB ' ' A' ' 35' ' ' HIS . 47.4 mt-10 -124.0 -50.99 1.8 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.6 p -111.02 -50.51 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.46 48.18 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.559 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -112.53 141.39 46.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.896 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.0 p -108.14 144.98 34.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 5.6 m-85 -134.81 168.4 19.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.4 m -92.44 -53.13 4.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.2 pt -103.15 163.84 3.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 26' ' ' SER . 24.2 t -67.77 -56.25 9.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' SER . 48.4 t -37.85 -58.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -44.76 -59.47 2.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 tp -49.89 -52.71 30.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.56 -48.86 65.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.7 m -62.26 -16.57 54.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.623 ' O ' HG23 ' A' ' 34' ' ' ILE . 1.9 t60 -92.39 -48.22 6.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -51.92 -24.68 6.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 34' ' ' ILE . 13.4 ptt85 -54.65 -37.07 65.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.623 HG23 ' O ' ' A' ' 31' ' ' HIS . 11.9 pt -52.17 -34.99 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CB ' ' OE2' ' A' ' 17' ' ' GLU . 71.0 m80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.465 -0.171 0 CA-C-O 120.859 0.275 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.468 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 84.0 m-85 -118.16 97.15 5.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -122.38 149.95 43.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.2 t -87.2 124.29 33.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.1 35.91 1.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.106 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -125.55 -60.96 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.1 p -91.77 -47.78 7.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.21 40.13 0.45 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HZ1' ' CD2' ' A' ' 31' ' ' HIS . 21.9 mtmt -117.53 171.92 7.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.2 m -133.46 164.82 26.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -145.43 157.88 43.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 m -83.37 -46.65 12.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.8 pt -108.25 168.69 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.468 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 44.0 p -77.17 -21.48 53.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -71.49 -46.79 58.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -54.53 -41.75 70.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 tp -71.52 -47.49 54.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.06 -47.62 71.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.414 ' C ' ' HG3' ' A' ' 33' ' ' ARG . 25.0 m -70.82 -11.09 60.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 33' ' ' ARG . 7.6 t-80 -90.35 -59.81 2.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' HIS . 32.6 mt-30 -37.06 -29.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 31' ' ' HIS . 16.4 mtm180 -47.1 -50.9 19.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -52.15 -24.75 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.189 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.468 ' N ' HG13 ' A' ' 34' ' ' ILE . 63.4 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.843 0.268 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -120.07 123.89 44.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -140.4 123.13 16.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.2 t -65.88 158.82 26.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.42 -35.85 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.104 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 6.3 mm-40 -48.44 -40.3 25.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.8 p -118.09 -47.8 2.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.57 55.04 0.36 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -118.45 154.95 31.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.483 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 53.9 p -113.82 156.59 23.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 21' ' ' SER . 11.2 m-85 -147.37 159.49 43.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 m -83.24 -48.28 10.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.4 pt -113.91 177.33 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.154 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 26' ' ' SER . 59.5 p -78.52 -59.31 2.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' SER . 1.1 t -35.57 -50.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -52.52 -57.56 9.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp -53.85 -48.39 70.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.47 -51.22 56.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.5 m -59.49 -17.32 30.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 33' ' ' ARG . 7.3 t60 -91.98 -57.03 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -38.34 -26.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' HIS . 2.1 mtm105 -52.12 -46.85 65.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.8 pt -48.45 -26.73 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 92.2 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.814 0.256 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -88.34 95.23 10.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -115.32 136.12 53.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -73.49 158.05 35.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.06 -16.55 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.572 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.0 mm-40 -80.15 -42.17 23.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.2 p -117.03 -43.57 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.11 5.58 17.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.507 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -79.09 135.97 37.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.338 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.4 p -92.4 172.12 8.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -149.85 149.81 31.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.2 m -63.74 -48.2 77.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.0 pt -118.79 -179.42 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' LEU . 12.9 t -79.4 -56.17 4.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' SER . 3.4 m -37.42 -46.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -60.89 -44.17 97.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' SER . 26.7 tp -65.83 -51.2 60.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.01 -52.54 64.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.415 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 5.0 m -64.49 -10.47 25.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -92.11 -55.89 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -51.07 -18.72 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 34' ' ' ILE . 4.9 ppt_? -61.52 -38.29 86.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.466 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 6.6 pt -61.98 -26.83 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 32.9 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.794 0.248 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 84.9 m-85 -134.53 109.98 9.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -131.21 142.44 50.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.1 t -83.35 123.51 29.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.34 40.04 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -127.02 -54.67 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.8 p -107.48 -47.75 3.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.54 56.51 0.16 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.497 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -135.21 121.96 20.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.2 m -90.91 163.49 14.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -146.01 146.68 31.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.6 m -71.81 -45.18 62.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 pt -115.26 151.7 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 16.2 t -56.22 -60.1 3.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 25' ' ' SER . 71.8 m -35.75 -52.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.816 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -48.32 -46.3 36.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.445 HD21 ' NE2' ' A' ' 32' ' ' GLN . 21.5 tp -62.55 -47.58 83.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.84 -53.87 35.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.076 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.416 ' C ' ' HG3' ' A' ' 33' ' ' ARG . 20.2 m -51.34 -22.21 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.179 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.473 ' O ' ' N ' ' A' ' 33' ' ' ARG . 21.7 t60 -91.33 -56.96 2.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.802 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.445 ' NE2' HD21 ' A' ' 28' ' ' LEU . 83.4 mt-30 -40.03 -25.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' HIS . 8.2 mtm180 -52.17 -45.49 65.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -68.39 -21.62 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.418 ' N ' HG13 ' A' ' 34' ' ' ILE . 15.4 m-70 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.818 0.257 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CE2' ' HA ' ' A' ' 24' ' ' ILE . 73.8 m-85 -121.09 123.97 43.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -141.62 119.69 12.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.5 t -68.67 147.23 52.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -105.38 -27.12 11.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.539 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 33.4 mm-40 -54.43 -57.17 12.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.5 p -106.66 -46.11 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.77 33.27 0.94 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.505 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 22.4 mtpt -95.25 175.28 6.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.81 0.338 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.401 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 88.4 p -135.48 166.7 22.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.418 ' CZ ' ' CB ' ' A' ' 31' ' ' HIS . 86.4 m-85 -152.45 171.18 18.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.8 t -83.6 -42.47 16.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.856 HD12 ' H ' ' A' ' 27' ' ' GLN . 1.9 pp -141.12 170.87 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 28' ' ' LEU . 13.1 p -59.06 -63.97 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.7 ' HB2' HD13 ' A' ' 24' ' ' ILE . 1.5 m -32.94 -36.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.856 ' H ' HD12 ' A' ' 24' ' ' ILE . 32.8 mt-30 -80.46 -46.52 15.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 25' ' ' SER . 19.6 tp -59.01 -42.31 89.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.76 -52.48 65.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.4 m -49.25 -19.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.505 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 42.5 t60 -91.98 -65.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -42.81 -24.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 31' ' ' HIS . 23.4 ptt85 -46.82 -34.99 5.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 35' ' ' HIS . 16.4 pt -73.29 -28.57 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.539 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 56.3 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.186 0 CA-C-O 120.791 0.246 . . . . 0.0 112.3 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -128.54 94.96 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -143.88 123.82 13.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.1 t -66.04 134.72 53.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.13 -34.83 15.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -50.08 -60.38 3.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -95.25 -47.05 6.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.25 37.78 1.31 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.535 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.507 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 13.7 tptm -101.95 127.84 48.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.76 0.314 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.6 p -101.04 148.38 25.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.813 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.507 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 96.5 m-85 -136.36 162.66 32.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.935 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 t -85.17 -42.77 14.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 pt -116.0 138.65 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.169 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 26' ' ' SER . 3.4 t -44.18 -56.9 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' SER . 47.6 t -34.04 -59.18 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.847 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.498 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 12.2 mm100 -44.66 -47.67 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' SER . 25.1 tp -58.41 -53.09 62.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.31 -47.1 69.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.0 m -64.6 -13.12 51.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.136 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -92.92 -57.22 2.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -45.67 -24.92 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.7 ptt85 -48.75 -33.37 10.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.467 HG13 ' N ' ' A' ' 35' ' ' HIS . 15.0 pt -71.53 -31.25 42.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.467 ' N ' HG13 ' A' ' 34' ' ' ILE . 50.8 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.795 0.248 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.404 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 71.3 m-85 -98.71 120.99 40.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -142.3 115.47 8.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -52.66 134.15 36.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.22 31.02 4.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.051 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -119.54 -49.79 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.8 p -112.55 -48.54 3.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.06 51.97 0.13 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.29 174.32 5.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.846 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.5 p -139.37 153.43 47.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -147.45 160.17 42.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.3 t -83.51 -42.19 17.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.506 HD12 ' OG ' ' A' ' 26' ' ' SER . 24.2 pt -120.13 144.45 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.148 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.404 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 24.1 t -55.65 -48.4 75.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.506 ' OG ' HD12 ' A' ' 24' ' ' ILE . 20.7 p -41.33 -41.88 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.808 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -68.54 -51.77 39.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 tp -51.94 -54.85 24.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.1 -51.39 10.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.494 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 96.8 m -55.21 -39.83 70.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.573 ' O ' HG23 ' A' ' 34' ' ' ILE . 1.5 t60 -68.97 -40.46 78.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -52.71 -16.52 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 30' ' ' THR . 0.3 OUTLIER -63.24 -31.96 73.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 31' ' ' HIS . 10.3 pt -59.29 -20.29 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.176 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.846 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.849 0.27 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.63 ' HB3' HD22 ' A' ' 28' ' ' LEU . 78.9 m-85 -115.25 110.76 19.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -144.14 144.41 31.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.7 t -85.14 137.34 33.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -107.8 35.22 3.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -123.97 -61.17 1.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.2 p -92.14 -50.85 5.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.27 51.61 0.21 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.544 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -133.54 124.63 27.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.8 p -100.2 163.49 12.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.05 174.81 10.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -92.76 -47.81 6.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.0 pt -112.18 179.38 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 36.7 t -78.85 -58.56 3.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.825 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.8 t -37.74 -39.58 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -67.95 -46.9 70.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.63 HD22 ' HB3' ' A' ' 13' ' ' PHE . 40.1 tp -61.7 -52.98 62.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.74 -55.97 14.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.465 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 9.9 m -51.96 -20.14 2.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.728 ' O ' HG23 ' A' ' 34' ' ' ILE . 2.9 t60 -92.1 -48.28 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -50.41 -29.16 9.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 30' ' ' THR . 3.4 ppt_? -53.43 -30.61 41.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.728 HG23 ' O ' ' A' ' 31' ' ' HIS . 6.1 pt -56.34 -46.44 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.561 ' NE2' HD11 ' A' ' 34' ' ' ILE . 74.2 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.171 0 CA-C-O 120.846 0.269 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.471 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 61.0 m-85 -101.11 89.84 3.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -124.28 111.57 15.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.1 t -53.92 121.96 9.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.55 38.5 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -124.66 -55.06 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.1 p -103.81 -47.21 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.26 53.32 0.14 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.505 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -128.15 173.54 10.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.827 0.346 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -139.98 169.19 18.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -151.16 164.18 37.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.6 m -80.7 -50.44 9.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.5 pt -119.32 163.68 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.471 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 70.2 p -59.74 -55.92 28.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' SER . 3.3 t -35.37 -50.37 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -57.37 -47.44 81.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 25' ' ' SER . 41.0 tp -57.46 -48.54 78.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.64 -43.99 76.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 m -63.6 -14.76 54.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -91.98 -50.67 5.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -49.13 -18.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.49 ' CD ' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -54.96 -36.77 65.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.49 HG23 ' CD ' ' A' ' 33' ' ' ARG . 6.1 pt -82.35 -9.83 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 179.943 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.871 0.279 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -137.29 116.7 12.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -133.57 130.25 38.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.1 t -72.33 123.58 23.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.43 39.08 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.583 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 13.6 mm-40 -125.72 -57.79 1.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -100.44 -46.64 5.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.22 41.74 0.27 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -113.75 172.04 7.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.764 0.316 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.7 m -141.91 164.06 31.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -149.24 -176.41 5.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 t -110.91 -46.95 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.3 pt -109.74 170.69 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 26' ' ' SER . 14.0 m -71.34 -57.79 4.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 25' ' ' SER . 3.9 m -35.48 -51.32 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -52.1 -59.88 3.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.2 tp -55.33 -47.34 75.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.55 -46.93 19.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.083 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.505 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 53.1 m -59.12 -61.43 2.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.18 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.408 ' CE1' HD11 ' A' ' 34' ' ' ILE . 77.3 t60 -49.16 -47.35 45.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -46.58 -21.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -53.28 -39.99 64.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.485 HG23 ' CD ' ' A' ' 33' ' ' ARG . 6.1 pt -77.86 -7.08 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.583 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 67.9 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.19 0 CA-C-O 120.775 0.24 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 94.1 m-85 -127.01 95.96 4.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.401 ' CB ' ' HA ' ' A' ' 21' ' ' SER . 5.5 pt-20 -144.06 147.38 33.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -75.54 123.18 25.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.58 33.67 2.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -122.18 -58.99 1.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.6 p -87.08 -54.92 4.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.51 44.4 0.11 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -125.17 158.97 32.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.774 0.321 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.401 ' HA ' ' CB ' ' A' ' 14' ' ' GLU . 11.9 p -131.32 160.35 35.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -138.77 -178.3 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -99.64 -47.67 5.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.5 pt -115.73 168.52 7.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.185 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.559 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 88.4 p -62.86 -60.83 2.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 25' ' ' SER . 5.5 t -34.9 -56.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -50.38 -48.87 55.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.21 -58.27 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.99 -53.48 16.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.478 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 73.0 m -52.94 -21.68 4.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.706 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.9 t60 -92.17 -48.1 6.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.823 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -50.84 -25.49 4.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.614 ' CZ ' HG22 ' A' ' 34' ' ' ILE . 5.6 ppt_? -56.56 -29.17 61.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.706 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.9 pt -64.03 -32.95 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.137 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.882 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.232 0.192 0 CA-C-O 120.787 0.245 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 24' ' ' ILE . 70.5 m-85 -121.33 109.08 14.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -136.82 116.48 12.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.3 t -57.03 130.32 45.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.35 30.38 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -120.84 -55.69 1.98 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -102.11 -45.53 5.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.37 49.95 0.29 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.488 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -120.6 153.73 36.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.848 0.356 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 74.0 p -121.23 144.64 48.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -122.67 -178.27 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.1 m -99.88 -36.26 9.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.884 HD12 ' H ' ' A' ' 27' ' ' GLN . 1.9 pp -143.21 151.55 17.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 26' ' ' SER . 2.5 p -46.6 -58.06 4.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.472 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . 0.7 OUTLIER -33.0 -44.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 -179.808 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.884 ' H ' HD12 ' A' ' 24' ' ' ILE . 35.0 mt-30 -75.55 -48.67 21.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 25' ' ' SER . 25.7 tp -51.9 -44.63 63.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.77 -52.22 66.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.073 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.1 m -47.27 -30.97 3.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -77.06 -50.05 13.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -48.57 -19.01 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -59.3 -51.96 67.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.3 pt -63.26 -13.08 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.812 179.931 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.786 0.244 . . . . 0.0 112.277 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.496 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 32.8 m-85 -139.36 113.3 8.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.408 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 13.4 mp0 -124.31 133.46 53.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.4 t -71.06 120.04 16.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.17 38.71 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -128.26 -60.35 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.0 p -96.65 -47.24 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.49 52.08 0.24 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -128.56 132.98 48.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.4 p -94.8 157.66 15.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -140.3 145.05 36.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.9 t -74.33 -38.19 63.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 pt -122.04 154.94 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.496 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 77.8 p -62.16 -50.04 73.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 5.0 t -39.74 -58.09 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -45.19 -54.61 6.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.8 tp -49.87 -36.26 26.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 26' ' ' SER . . . -65.9 -50.67 63.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.454 ' O ' HG22 ' A' ' 30' ' ' THR . 87.5 m -66.6 -10.98 51.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -92.18 -59.84 2.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -46.91 -20.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -54.13 -14.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.0 pt -91.02 -23.33 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.895 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -113.3 98.0 6.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.887 0.375 . . . . 0.0 110.853 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 t -104.22 149.01 25.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.67 77.22 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.47 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.7 t -116.31 120.33 38.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -162.18 170.28 19.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.17 141.16 7.23 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.7 p -125.47 39.84 3.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.826 0.346 . . . . 0.0 111.117 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.78 89.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -85.16 176.52 8.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.904 0.383 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -164.72 155.14 12.58 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.584 0.707 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -28.32 25.27 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -106.63 82.66 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -104.66 148.08 26.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.7 t -101.4 123.34 45.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.31 36.71 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -121.34 -43.03 2.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.2 p -124.19 -41.24 2.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.73 37.89 0.53 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -106.35 176.44 5.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 87.7 p -155.38 161.31 41.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -148.25 174.11 12.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.6 m -92.25 -51.8 4.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.5 pt -109.5 174.17 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 28' ' ' LEU . 6.5 t -67.98 -59.09 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' SER . 15.1 m -34.62 -46.56 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.62 -47.67 84.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' SER . 54.3 tp -62.87 -40.47 97.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.73 -58.22 9.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.415 ' C ' ' HG3' ' A' ' 33' ' ' ARG . 33.5 m -51.36 -17.58 0.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 33' ' ' ARG . 75.2 t60 -91.54 -58.0 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.472 ' O ' HG23 ' A' ' 36' ' ' THR . 31.3 mm-40 -39.58 -25.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 31' ' ' HIS . 11.8 mtm180 -49.39 -53.95 19.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.3 pt -56.54 -13.48 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -101.81 -35.22 9.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 32' ' ' GLN . 38.7 p -73.34 115.2 12.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 168.09 -38.23 0.22 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.85 179.07 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.947 0.404 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.08 78.1 74.62 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.592 0.71 . . . . 0.0 110.857 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -50.42 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.709 2.272 . . . . 0.0 112.322 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.4 m -127.65 174.88 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.31 -93.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 176.46 6.76 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.322 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -92.38 157.26 16.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.1 t -49.89 -59.58 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.483 -179.993 . . . . . . . . 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 -0.325 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t 64.78 41.88 4.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.374 . . . . 0.0 110.903 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -69.8 -57.89 4.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.73 -80.56 0.3 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.508 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -53.21 -43.52 67.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.874 0.368 . . . . 0.0 110.887 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.0 t 45.85 49.34 11.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.822 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.82 117.73 0.78 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.1 t -87.53 -5.33 58.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 111.103 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.15 178.82 45.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.499 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -148.98 119.87 7.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.905 0.383 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.47 ' CG ' ' HB2' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -93.47 143.3 26.42 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.595 0.712 . . . . 0.0 110.876 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -29.67 23.25 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.655 2.237 . . . . 0.0 112.353 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -124.77 107.71 11.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.47 ' HB2' ' CG ' ' A' ' 11' ' ' LYS . 37.6 tt0 -133.21 122.64 24.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.0 t -80.47 131.52 35.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -104.82 7.0 34.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.639 ' CB ' ' CE1' ' A' ' 35' ' ' HIS . 22.2 mt-10 -86.95 -39.96 15.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.7 p -127.1 -35.13 2.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.44 60.69 0.49 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -131.27 166.83 20.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.32 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.7 p -133.32 163.99 28.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -148.84 175.46 11.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.5 t -107.8 -17.52 14.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.716 HD11 ' OE1' ' A' ' 27' ' ' GLN . 1.7 pt -141.71 152.49 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.2 t -62.79 -38.53 91.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 t -53.03 -41.59 64.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.716 ' OE1' HD11 ' A' ' 24' ' ' ILE . 29.8 mt-30 -72.52 -44.13 62.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.5 tp -58.58 -44.85 89.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.42 -57.76 10.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.079 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.7 m -52.05 -17.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.402 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.6 t60 -90.23 -40.22 12.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.793 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -55.48 -20.82 13.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.893 ' O ' HG22 ' A' ' 36' ' ' THR . 21.0 mtt-85 -64.66 -45.64 85.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 31' ' ' HIS . 2.3 pt -48.33 -24.24 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.639 ' CE1' ' CB ' ' A' ' 17' ' ' GLU . 80.6 m-70 -75.28 -34.78 61.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.893 HG22 ' O ' ' A' ' 33' ' ' ARG . 12.4 t -34.12 141.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.15 -155.9 49.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -160.33 148.79 16.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.877 0.37 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -77.63 153.06 81.03 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.584 0.707 . . . . 0.0 110.837 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 41' ' ' SER . 54.0 Cg_endo -69.76 -8.82 24.58 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.682 2.254 . . . . 0.0 112.361 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 40' ' ' PRO . 2.0 m -36.43 -40.4 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.24 145.82 16.33 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.52 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 155.38 66.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.376 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 81.2 p -167.51 114.24 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.1 t -68.67 -58.29 4.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.491 -179.926 . . . . . . . . 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 -0.329 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 p -112.93 -43.89 3.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -63.81 142.68 58.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.74 100.08 0.23 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.7 p -171.13 114.52 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.93 0.395 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.7 m -113.33 107.33 15.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.16 59.08 7.22 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.451 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.9 m -124.43 83.72 2.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.873 0.368 . . . . 0.0 111.132 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.32 62.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -84.6 -26.22 28.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.867 0.365 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -92.09 146.93 33.7 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.517 0.675 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -29.69 23.63 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.328 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.512 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 64.5 m-85 -105.78 106.34 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -132.83 134.37 44.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.4 t -84.23 134.57 34.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -108.64 42.81 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -129.88 -58.16 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -107.31 -45.22 4.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.91 55.92 0.17 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -134.23 143.11 47.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.802 0.335 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.7 m -119.24 165.26 14.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -141.06 169.57 17.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.9 m -91.4 -35.43 14.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.41 142.79 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.177 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.512 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 1.1 t -54.17 -35.62 62.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.5 p -51.41 -52.57 44.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -61.07 -49.95 75.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 tp -52.12 -53.94 36.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.64 -45.8 58.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.5 m -61.3 -27.66 68.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -76.77 -41.19 45.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -55.03 -14.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -62.04 -52.05 65.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -61.1 -11.61 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -94.91 -33.71 12.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.2 p -93.43 86.64 5.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.136 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.89 169.42 42.43 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -173.23 155.08 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -163.5 143.88 6.95 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.594 0.712 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -16.9 37.74 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -61.49 -53.59 54.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.68 83.42 0.33 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -173.27 0.69 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.391 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.7 t -117.92 84.95 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.7 p -158.39 174.78 14.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.825 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.495 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 p -109.16 85.39 2.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.826 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -76.2 -57.1 4.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 153.3 -80.37 0.19 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.478 ' O ' ' CE ' ' A' ' 11' ' ' LYS . 42.8 t 35.08 43.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.912 0.386 . . . . 0.0 110.837 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 p -88.34 -49.57 6.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.836 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.41 -153.03 2.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.466 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.3 p -93.34 36.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 111.117 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.32 164.54 30.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.466 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -113.77 111.5 21.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.908 0.385 . . . . 0.0 110.834 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' CE ' ' O ' ' A' ' 5' ' ' SER . 15.6 mtmm -113.52 82.65 6.3 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.567 0.698 . . . . 0.0 110.942 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.495 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.73 -4.92 14.98 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.357 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 31.7 m-85 -148.77 112.82 5.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -143.81 158.44 43.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.2 t -95.43 132.3 40.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -106.27 36.46 2.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -125.26 -58.05 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -98.88 -45.72 5.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.84 70.3 0.29 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -146.59 116.79 7.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.822 0.344 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.7 p -98.12 153.76 18.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.447 ' CD1' ' HB3' ' A' ' 27' ' ' GLN . 78.2 m-85 -134.06 -177.67 4.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 t -101.41 -42.75 6.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.6 pt -120.8 -179.92 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.427 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 8.7 t -76.23 -50.17 15.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -44.14 -32.19 1.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.447 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 41.5 mm-40 -71.29 -51.52 23.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.0 tp -64.17 -33.27 75.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.29 -48.54 79.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.125 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.409 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 1.6 m -63.83 -17.78 63.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -90.88 -41.44 11.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.55 ' O ' HG22 ' A' ' 36' ' ' THR . 35.4 mt-30 -56.33 -13.59 2.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.409 ' NE ' ' HA ' ' A' ' 30' ' ' THR . 27.7 mtt-85 -65.38 -50.34 65.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.7 pt -64.93 -8.08 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -99.28 -33.35 10.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.833 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 32' ' ' GLN . 8.9 t -103.17 145.28 30.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.38 -88.94 2.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.525 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -140.94 140.85 34.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.897 0.38 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -117.12 80.65 11.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.721 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -7.67 21.66 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.717 2.278 . . . . 0.0 112.307 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.4 t -100.04 116.02 31.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 58.57 66.21 2.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.461 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -22.97 31.38 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.687 2.258 . . . . 0.0 112.352 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.2 p -147.49 146.78 29.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.3 m -112.72 95.47 5.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.482 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -39.57 126.3 1.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.869 0.366 . . . . 0.0 110.842 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 p -81.81 -7.87 59.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.795 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.99 140.02 3.22 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.5 p -166.45 117.77 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.868 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.0 p -105.45 42.28 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.68 125.83 5.73 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.9 m -118.39 -40.73 2.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 0.0 111.119 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.94 89.21 0.91 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -124.7 73.85 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.915 0.388 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -114.43 158.85 38.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.575 0.703 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -27.31 26.76 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.364 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 65.0 m-85 -116.73 98.93 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -121.86 124.08 43.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.4 t -70.99 127.91 34.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.69 35.6 1.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -123.18 -50.23 1.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.9 p -114.36 -47.89 2.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.75 50.3 0.2 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -129.0 134.69 48.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.5 p -105.08 159.51 15.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.846 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.551 ' CD2' ' HA ' ' A' ' 28' ' ' LEU . 97.7 m-85 -134.93 156.9 48.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 t -68.45 -50.7 50.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 pt -117.33 167.96 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 51.3 p -64.94 -58.48 6.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 25' ' ' SER . 3.4 m -36.74 -52.19 0.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.864 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -53.16 -56.62 14.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.551 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 15.5 tp -51.69 -46.26 63.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.63 -46.11 73.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.9 m -62.11 -15.61 46.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 33' ' ' ARG . 27.9 t60 -92.14 -62.79 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -43.89 -22.24 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 34' ' ' ILE . 22.3 ptt180 -51.87 -38.47 56.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.437 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 5.8 pt -69.1 -17.92 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -88.73 -37.26 15.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.6 p -78.1 -45.07 24.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.66 74.93 1.29 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.48 69.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.882 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.76 144.05 47.1 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.598 0.713 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -6.04 17.6 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.351 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.2 m 65.37 38.82 5.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.58 147.44 7.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.431 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.2 Cg_endo -69.8 2.61 3.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 43' ' ' PRO . 1.4 t -34.57 -44.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.812 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.1 p -165.66 143.41 5.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.455 -179.983 . . . . . . . . 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 -0.302 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m -87.85 109.66 19.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.836 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.1 m -94.35 85.09 4.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.88 128.95 2.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 6' ' ' SER . 65.9 p -64.09 109.94 2.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.867 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 5' ' ' SER . 2.1 m -35.49 -47.01 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.75 156.77 7.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.503 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -130.18 38.82 3.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 111.155 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.7 62.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.537 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -77.8 -26.86 49.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -140.82 146.72 45.35 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.521 0.677 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -19.86 35.52 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.65 2.233 . . . . 0.0 112.367 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 69.7 m-85 -128.59 91.39 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -111.49 121.93 46.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.9 t -58.51 125.06 21.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.3 40.3 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.066 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -126.68 -46.05 1.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -120.32 -46.32 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.5 35.61 0.28 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -95.59 155.01 16.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.7 p -128.17 157.39 40.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -153.98 170.44 21.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.0 m -87.16 -55.73 3.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.1 pt -112.17 168.54 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.167 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 35.1 p -60.15 -57.6 12.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 25' ' ' SER . 2.8 m -35.31 -46.64 0.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -60.06 -49.44 77.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 25' ' ' SER . 56.6 tp -61.41 -47.31 86.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.36 -53.43 54.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.0 m -56.34 -17.09 6.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 33' ' ' ARG . 31.1 t60 -92.03 -65.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -42.3 -23.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 34' ' ' ILE . 42.5 ptt85 -49.04 -41.66 35.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.471 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 8.8 pt -64.8 -23.37 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.411 ' N ' HG13 ' A' ' 34' ' ' ILE . 29.3 m-70 -84.74 -32.67 23.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.7 t -101.32 153.23 19.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.02 -92.31 0.22 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.473 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -125.98 141.82 51.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.946 0.403 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 21.9 ttmt -173.65 140.54 0.84 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.561 0.696 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.77 90.09 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.63 2.22 . . . . 0.0 112.364 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.3 p -106.21 105.03 14.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 60.54 -158.16 28.18 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -7.72 21.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.367 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.7 m -45.62 151.24 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 t -83.32 136.08 34.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.503 -179.985 . . . . . . . . 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 1.452 -0.3 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 m -146.81 167.97 22.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.357 . . . . 0.0 110.906 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.2 p -130.58 141.65 50.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.94 -129.87 0.1 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -167.43 156.0 9.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.838 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 t -89.04 122.9 32.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.5 74.61 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.8 p -96.31 88.9 4.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.33 . . . . 0.0 111.083 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.59 78.5 0.12 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -72.41 166.47 22.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.914 0.388 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.406 ' CD ' ' O ' ' A' ' 22' ' ' PHE . 42.2 mttm -81.86 153.55 70.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.551 0.691 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -2.96 11.04 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.736 2.291 . . . . 0.0 112.312 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -137.41 108.33 6.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -134.65 116.58 15.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.0 t -51.38 128.88 23.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.91 34.74 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' OE2' ' CB ' ' A' ' 35' ' ' HIS . 47.4 mt-10 -124.0 -50.99 1.8 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.6 p -111.02 -50.51 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.46 48.18 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.559 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -112.53 141.39 46.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.896 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.0 p -108.14 144.98 34.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 5.6 m-85 -134.81 168.4 19.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.4 m -92.44 -53.13 4.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.2 pt -103.15 163.84 3.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 26' ' ' SER . 24.2 t -67.77 -56.25 9.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' SER . 48.4 t -37.85 -58.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -44.76 -59.47 2.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 tp -49.89 -52.71 30.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.56 -48.86 65.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.7 m -62.26 -16.57 54.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.623 ' O ' HG23 ' A' ' 34' ' ' ILE . 1.9 t60 -92.39 -48.22 6.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -51.92 -24.68 6.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 34' ' ' ILE . 13.4 ptt85 -54.65 -37.07 65.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.623 HG23 ' O ' ' A' ' 31' ' ' HIS . 11.9 pt -52.17 -34.99 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CB ' ' OE2' ' A' ' 17' ' ' GLU . 78.9 m-70 -78.26 -32.87 49.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 77.8 p -97.21 42.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.72 -153.22 11.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -109.83 81.26 1.41 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.952 0.406 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -151.75 149.47 23.95 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 92.47 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.71 2.274 . . . . 0.0 112.368 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 42' ' ' GLY . 31.4 t -124.84 139.66 53.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' SER . . . 36.33 72.07 0.16 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.521 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -45.29 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.31 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.1 m -66.25 156.95 32.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 86.8 p -106.24 42.01 1.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.792 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.479 -179.988 . . . . . . . . 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 -0.329 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 p -160.65 147.33 15.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.838 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.2 p -63.84 120.46 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.61 -98.04 0.11 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 t 38.03 41.94 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 110.864 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -134.78 129.03 33.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.37 79.7 0.88 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.446 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.6 p -119.8 -48.5 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.27 134.81 8.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.45 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.444 ' CD ' ' O ' ' A' ' 10' ' ' GLU . 2.8 pp20? -136.29 131.29 34.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -125.49 143.97 46.42 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.586 0.708 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -16.84 37.57 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.371 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.468 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 84.0 m-85 -118.16 97.15 5.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -122.38 149.95 43.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.2 t -87.2 124.29 33.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.1 35.91 1.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.106 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -125.55 -60.96 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.1 p -91.77 -47.78 7.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.21 40.13 0.45 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.466 ' NZ ' ' CE1' ' A' ' 31' ' ' HIS . 21.9 mtmt -117.53 171.92 7.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.2 m -133.46 164.82 26.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -145.43 157.88 43.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 m -83.37 -46.65 12.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.8 pt -108.25 168.69 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.468 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 44.0 p -77.17 -21.48 53.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -71.49 -46.79 58.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -54.53 -41.75 70.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 tp -71.52 -47.49 54.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.06 -47.62 71.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.414 ' C ' ' HG3' ' A' ' 33' ' ' ARG . 25.0 m -70.82 -11.09 60.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 33' ' ' ARG . 32.1 t60 -90.35 -59.81 2.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' HIS . 32.6 mt-30 -37.06 -29.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 31' ' ' HIS . 16.4 mtm180 -47.1 -50.9 19.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -52.15 -24.75 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.189 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.468 ' N ' HG13 ' A' ' 34' ' ' ILE . 63.4 m-70 -87.75 -31.34 19.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.1 p -90.79 36.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.151 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.91 -49.6 3.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -72.23 135.8 46.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.959 0.409 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.478 ' CD ' ' HD2' ' A' ' 40' ' ' PRO . 15.8 tptm -103.66 138.11 19.44 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.563 0.697 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.478 ' HD2' ' CD ' ' A' ' 39' ' ' LYS . 53.2 Cg_endo -69.81 110.83 2.66 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -113.11 102.32 10.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -156.46 73.46 0.24 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.531 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 165.69 30.11 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.715 2.277 . . . . 0.0 112.35 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.1 t -157.86 132.42 8.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.6 p -60.07 154.25 19.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.525 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -153.26 126.28 8.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.914 0.387 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -112.89 142.1 45.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.54 156.86 8.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.46 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.7 p -156.36 164.63 38.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -128.59 -50.88 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.36 114.45 0.62 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.6 p -86.02 39.27 0.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.801 0.334 . . . . 0.0 111.106 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.16 176.04 23.33 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -90.2 123.71 34.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.93 0.395 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -123.41 84.32 52.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -25.32 28.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.27 . . . . 0.0 112.345 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -120.07 123.89 44.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -140.4 123.13 16.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.2 t -65.88 158.82 26.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.42 -35.85 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.104 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 6.3 mm-40 -48.44 -40.3 25.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.8 p -118.09 -47.8 2.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.57 55.04 0.36 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -118.45 154.95 31.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.483 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 53.9 p -113.82 156.59 23.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 21' ' ' SER . 11.2 m-85 -147.37 159.49 43.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 m -83.24 -48.28 10.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.4 pt -113.91 177.33 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.154 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 26' ' ' SER . 59.5 p -78.52 -59.31 2.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' SER . 1.1 t -35.57 -50.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -52.52 -57.56 9.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp -53.85 -48.39 70.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.47 -51.22 56.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.5 m -59.49 -17.32 30.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 33' ' ' ARG . 7.3 t60 -91.98 -57.03 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -38.34 -26.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.905 ' O ' HG23 ' A' ' 36' ' ' THR . 2.1 mtm105 -52.12 -46.85 65.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.8 pt -48.45 -26.73 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 92.2 m-70 -83.24 17.56 2.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.905 HG23 ' O ' ' A' ' 33' ' ' ARG . 6.6 p -58.51 -59.6 5.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.93 109.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -84.19 38.68 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.929 0.395 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -165.06 136.77 3.33 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.56 0.695 . . . . 0.0 110.954 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 91.44 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.4 p -114.41 173.19 6.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.82 172.42 55.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.532 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -172.39 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.8 m -131.89 155.38 47.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -96.71 155.25 16.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.465 -179.978 . . . . . . . . 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 -0.322 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -96.26 89.2 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -128.35 -60.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.03 96.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.546 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -87.17 132.16 33.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.373 . . . . 0.0 110.835 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 m -152.07 178.1 9.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.4 150.2 6.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 t -100.05 -29.54 12.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.823 0.344 . . . . 0.0 111.14 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 164.83 -41.99 0.3 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 63.42 49.07 3.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -99.77 144.09 27.69 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.568 0.699 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -29.1 24.25 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.233 . . . . 0.0 112.346 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -88.34 95.23 10.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -115.32 136.12 53.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -73.49 158.05 35.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.06 -16.55 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.572 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.0 mm-40 -80.15 -42.17 23.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.2 p -117.03 -43.57 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.11 5.58 17.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.507 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -79.09 135.97 37.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.338 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.4 p -92.4 172.12 8.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -149.85 149.81 31.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.2 m -63.74 -48.2 77.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.0 pt -118.79 -179.42 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' LEU . 12.9 t -79.4 -56.17 4.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' SER . 3.4 m -37.42 -46.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -60.89 -44.17 97.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 25' ' ' SER . 26.7 tp -65.83 -51.2 60.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.01 -52.54 64.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.415 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 5.0 m -64.49 -10.47 25.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -92.11 -55.89 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -51.07 -18.72 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 34' ' ' ILE . 4.9 ppt_? -61.52 -38.29 86.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.466 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 6.6 pt -61.98 -26.83 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 32.9 m-70 -69.65 -25.18 63.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.1 p -99.18 50.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 169.21 52.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.497 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -124.01 -12.88 7.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.916 0.388 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -103.03 144.2 28.15 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.555 0.693 . . . . 0.0 110.947 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -35.21 12.99 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.325 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.1 t 66.0 37.57 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.823 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.6 146.2 16.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -176.5 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.349 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.3 t -93.96 83.72 4.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.811 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 m -163.23 162.28 25.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.832 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.444 -179.937 . . . . . . . . 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 -0.337 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -123.17 106.7 10.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 t -165.86 142.05 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.97 -112.99 0.58 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -117.28 136.09 53.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -143.51 106.75 4.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.17 128.04 2.07 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.51 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 t -127.77 -28.52 2.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.822 0.344 . . . . 0.0 111.12 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.1 99.31 0.25 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.515 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -115.04 78.3 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.367 . . . . 0.0 110.903 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -125.49 155.57 71.74 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.548 0.689 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -8.89 24.75 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 84.9 m-85 -134.53 109.98 9.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -131.21 142.44 50.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.1 t -83.35 123.51 29.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.34 40.04 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -127.02 -54.67 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.8 p -107.48 -47.75 3.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.54 56.51 0.16 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.497 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -135.21 121.96 20.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.2 m -90.91 163.49 14.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -146.01 146.68 31.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.6 m -71.81 -45.18 62.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 pt -115.26 151.7 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 16.2 t -56.22 -60.1 3.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 25' ' ' SER . 71.8 m -35.75 -52.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.816 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -48.32 -46.3 36.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.445 HD21 ' NE2' ' A' ' 32' ' ' GLN . 21.5 tp -62.55 -47.58 83.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.84 -53.87 35.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.076 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.416 ' C ' ' HG3' ' A' ' 33' ' ' ARG . 20.2 m -51.34 -22.21 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.179 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.473 ' O ' ' N ' ' A' ' 33' ' ' ARG . 21.7 t60 -91.33 -56.96 2.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.802 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.445 ' NE2' HD21 ' A' ' 28' ' ' LEU . 83.4 mt-30 -40.03 -25.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.89 ' O ' HG22 ' A' ' 36' ' ' THR . 8.2 mtm180 -52.17 -45.49 65.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -68.39 -21.62 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 36' ' ' THR . 15.4 m-70 -77.78 -37.91 47.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.89 HG22 ' O ' ' A' ' 33' ' ' ARG . 14.8 t -33.86 128.15 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . 173.22 83.7 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 37' ' ' GLY . 14.4 mt-10 -36.84 136.84 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.446 ' CD ' ' HD2' ' A' ' 40' ' ' PRO . 15.4 tptm -147.83 137.31 12.06 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.613 0.721 . . . . 0.0 110.846 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.446 ' HD2' ' CD ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.72 98.03 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.728 2.285 . . . . 0.0 112.39 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.3 m -54.33 -41.41 69.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 139.16 -158.2 25.21 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -171.69 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.303 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.9 m 53.7 45.79 27.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 55.6 m -106.71 94.35 5.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.469 -179.971 . . . . . . . . 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 -0.357 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.7 p 38.7 42.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m -75.29 -46.48 33.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.94 168.02 0.31 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.6 p -169.01 168.27 10.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.87 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -110.83 112.54 24.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.94 120.95 5.17 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.455 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -134.73 43.64 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 111.132 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.22 104.64 0.71 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -130.08 46.38 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.936 0.398 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -101.75 154.46 37.29 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.579 0.704 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -20.95 34.17 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.697 2.264 . . . . 0.0 112.324 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CE2' ' HA ' ' A' ' 24' ' ' ILE . 73.8 m-85 -121.09 123.97 43.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -141.62 119.69 12.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.5 t -68.67 147.23 52.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -105.38 -27.12 11.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.539 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 33.4 mm-40 -54.43 -57.17 12.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.5 p -106.66 -46.11 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.77 33.27 0.94 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.505 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 22.4 mtpt -95.25 175.28 6.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.81 0.338 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.401 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 88.4 p -135.48 166.7 22.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.418 ' CZ ' ' CB ' ' A' ' 31' ' ' HIS . 86.4 m-85 -152.45 171.18 18.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.8 t -83.6 -42.47 16.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.856 HD12 ' H ' ' A' ' 27' ' ' GLN . 1.9 pp -141.12 170.87 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 28' ' ' LEU . 13.1 p -59.06 -63.97 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.7 ' HB2' HD13 ' A' ' 24' ' ' ILE . 1.5 m -32.94 -36.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.856 ' H ' HD12 ' A' ' 24' ' ' ILE . 32.8 mt-30 -80.46 -46.52 15.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 25' ' ' SER . 19.6 tp -59.01 -42.31 89.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.76 -52.48 65.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.4 m -49.25 -19.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.505 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 42.5 t60 -91.98 -65.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -42.81 -24.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 31' ' ' HIS . 23.4 ptt85 -46.82 -34.99 5.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 35' ' ' HIS . 16.4 pt -73.29 -28.57 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.539 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 56.3 m-70 -77.18 -30.55 54.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.9 p -95.65 -19.09 20.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.16 -89.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -99.11 89.45 4.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.899 0.38 . . . . 0.0 110.896 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.468 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 21.9 tttt -168.41 139.72 2.2 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.561 0.696 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.2 Cg_endo -69.77 117.81 5.31 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.728 2.285 . . . . 0.0 112.316 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.1 p -44.4 148.19 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.58 75.18 0.58 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -40.54 5.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.724 2.283 . . . . 0.0 112.322 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.2 p -151.2 149.66 29.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 65.0 m -49.93 -58.64 5.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.827 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.479 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.5 m -66.56 173.16 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.873 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.3 p -81.08 -37.62 28.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.29 -77.52 0.36 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 t -97.02 97.0 8.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.841 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.6 p -79.04 117.82 20.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.5 128.95 9.2 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.433 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.435 HG23 ' N ' ' A' ' 9' ' ' GLY . 9.9 t -101.22 -41.34 6.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 111.101 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.435 ' N ' HG23 ' A' ' 8' ' ' THR . . . -50.34 160.77 1.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -132.56 153.97 50.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -137.01 146.34 54.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -7.31 20.73 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.732 2.288 . . . . 0.0 112.3 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -128.54 94.96 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -143.88 123.82 13.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.1 t -66.04 134.72 53.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.13 -34.83 15.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -50.08 -60.38 3.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -95.25 -47.05 6.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.25 37.78 1.31 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.535 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.507 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 13.7 tptm -101.95 127.84 48.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.76 0.314 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.6 p -101.04 148.38 25.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.813 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.507 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 96.5 m-85 -136.36 162.66 32.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.935 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 t -85.17 -42.77 14.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 pt -116.0 138.65 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.169 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 26' ' ' SER . 3.4 t -44.18 -56.9 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' SER . 47.6 t -34.04 -59.18 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.847 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.498 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 12.2 mm100 -44.66 -47.67 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' SER . 25.1 tp -58.41 -53.09 62.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.31 -47.1 69.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.0 m -64.6 -13.12 51.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.136 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.417 ' CD2' ' N ' ' A' ' 32' ' ' GLN . 2.9 t60 -92.92 -57.22 2.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.417 ' N ' ' CD2' ' A' ' 31' ' ' HIS . 55.6 mt-30 -45.67 -24.92 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.7 ptt85 -48.75 -33.37 10.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.467 HG13 ' N ' ' A' ' 35' ' ' HIS . 15.0 pt -71.53 -31.25 42.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.467 ' N ' HG13 ' A' ' 34' ' ' ILE . 50.8 m-70 -69.0 -36.87 78.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.0 t -83.16 144.6 29.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.07 86.69 1.94 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -108.85 178.89 4.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -58.11 154.02 32.33 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 2.32 3.66 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.633 2.222 . . . . 0.0 112.362 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.9 t -94.55 148.98 21.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.18 -88.1 1.94 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 158.57 56.4 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.302 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -110.04 96.71 6.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.9 p -125.1 -24.39 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.836 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.486 -179.97 . . . . . . . . 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 1.452 -0.276 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -108.1 126.43 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -143.04 170.83 14.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 124.73 -54.52 0.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.463 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 4' ' ' GLY . 66.6 m -37.02 -59.18 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.863 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.2 p -54.94 131.39 44.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.51 78.91 1.42 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.7 m -115.17 85.2 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 111.15 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.07 124.24 2.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.537 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -88.18 53.73 2.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.379 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -76.22 143.9 74.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.525 0.679 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -26.27 27.91 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.404 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 71.3 m-85 -98.71 120.99 40.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -142.3 115.47 8.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -52.66 134.15 36.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.22 31.02 4.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.051 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -119.54 -49.79 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.8 p -112.55 -48.54 3.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.06 51.97 0.13 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.29 174.32 5.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.846 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.5 p -139.37 153.43 47.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -147.45 160.17 42.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.3 t -83.51 -42.19 17.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.506 HD12 ' OG ' ' A' ' 26' ' ' SER . 24.2 pt -120.13 144.45 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.148 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.404 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 24.1 t -55.65 -48.4 75.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.506 ' OG ' HD12 ' A' ' 24' ' ' ILE . 20.7 p -41.33 -41.88 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.808 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -68.54 -51.77 39.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 tp -51.94 -54.85 24.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.1 -51.39 10.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.494 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 96.8 m -55.21 -39.83 70.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.573 ' O ' HG23 ' A' ' 34' ' ' ILE . 1.5 t60 -68.97 -40.46 78.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -52.71 -16.52 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 30' ' ' THR . 0.3 OUTLIER -63.24 -31.96 73.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 31' ' ' HIS . 10.3 pt -59.29 -20.29 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.176 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -96.46 -31.45 12.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.564 ' O ' HG23 ' A' ' 36' ' ' THR . 6.0 t -123.28 104.39 9.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.04 -33.82 2.85 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -55.38 -14.07 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.963 0.411 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -170.87 141.85 1.5 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -14.27 35.77 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.3 t -52.14 -54.7 27.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.12 -101.59 0.31 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 144.45 53.84 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.33 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.4 p -135.31 135.58 40.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -96.25 88.55 4.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.496 -179.999 . . . . . . . . 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 -0.32 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 m -148.7 160.89 42.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.2 p -108.1 135.06 50.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.84 -127.13 1.62 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -86.19 -54.04 4.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.899 0.381 . . . . 0.0 110.886 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m 58.47 41.28 22.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.1 161.61 34.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.531 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.8 t -104.46 39.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 111.145 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.86 117.55 5.36 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.491 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -123.75 -26.39 4.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.952 0.406 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 17.6 mtmt -51.8 138.27 33.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.569 0.7 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -22.62 31.49 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.625 2.217 . . . . 0.0 112.358 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.63 ' HB3' HD22 ' A' ' 28' ' ' LEU . 78.9 m-85 -115.25 110.76 19.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -144.14 144.41 31.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.7 t -85.14 137.34 33.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -107.8 35.22 3.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -123.97 -61.17 1.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.2 p -92.14 -50.85 5.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.27 51.61 0.21 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.544 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -133.54 124.63 27.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.8 p -100.2 163.49 12.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.433 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 98.0 m-85 -137.05 174.81 10.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -92.76 -47.81 6.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.0 pt -112.18 179.38 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 36.7 t -78.85 -58.56 3.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.825 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.8 t -37.74 -39.58 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -67.95 -46.9 70.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.63 HD22 ' HB3' ' A' ' 13' ' ' PHE . 40.1 tp -61.7 -52.98 62.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.74 -55.97 14.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.465 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 9.9 m -51.96 -20.14 2.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.728 ' O ' HG23 ' A' ' 34' ' ' ILE . 2.9 t60 -92.1 -48.28 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -50.41 -29.16 9.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 30' ' ' THR . 3.4 ppt_? -53.43 -30.61 41.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.728 HG23 ' O ' ' A' ' 31' ' ' HIS . 6.1 pt -56.34 -46.44 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.561 ' NE2' HD11 ' A' ' 34' ' ' ILE . 74.2 m-70 -77.47 -27.76 52.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.22 97.86 8.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.15 -81.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -103.19 77.23 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.934 0.397 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -173.89 142.55 0.9 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 129.17 17.19 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.354 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.9 p -100.15 115.74 30.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -149.42 84.82 0.16 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.44 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.5 Cg_endo -69.8 179.98 3.34 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.646 2.231 . . . . 0.0 112.321 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 43' ' ' PRO . 27.0 t -34.54 -56.29 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.3 m -100.35 133.92 44.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.487 -179.995 . . . . . . . . 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 -0.338 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 p -76.43 153.0 36.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 110.875 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -113.92 146.24 40.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.59 -160.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -96.35 -45.58 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 0.0 110.859 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -71.58 128.6 36.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.88 -71.39 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.8 p 42.67 40.15 1.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.77 0.319 . . . . 0.0 111.136 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.19 155.88 12.22 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -152.38 128.55 10.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.951 0.405 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -107.24 84.56 1.75 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.569 0.699 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -20.06 35.19 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.715 2.277 . . . . 0.0 112.341 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.471 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 61.0 m-85 -101.11 89.84 3.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -124.28 111.57 15.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.1 t -53.92 121.96 9.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.55 38.5 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -124.66 -55.06 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.1 p -103.81 -47.21 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.26 53.32 0.14 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.505 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -128.15 173.54 10.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.827 0.346 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -139.98 169.19 18.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -151.16 164.18 37.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.6 m -80.7 -50.44 9.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.5 pt -119.32 163.68 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.471 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 70.2 p -59.74 -55.92 28.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' SER . 3.3 t -35.37 -50.37 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -57.37 -47.44 81.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 25' ' ' SER . 41.0 tp -57.46 -48.54 78.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.64 -43.99 76.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 m -63.6 -14.76 54.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -91.98 -50.67 5.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -49.13 -18.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.49 ' CD ' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -54.96 -36.77 65.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.49 HG23 ' CD ' ' A' ' 33' ' ' ARG . 6.1 pt -82.35 -9.83 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -96.59 -35.66 10.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 36' ' ' THR . 9.8 t -76.72 65.67 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.25 -48.97 0.11 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -100.74 68.21 1.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.902 0.382 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.43 136.17 37.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.9 Cg_endo -69.78 146.82 61.25 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.655 2.237 . . . . 0.0 112.356 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 40' ' ' PRO . 63.2 p -35.46 105.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -157.64 -158.1 8.78 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 168.89 20.17 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.742 2.295 . . . . 0.0 112.371 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.2 p -78.56 141.4 38.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 46' ' ' GLY . 14.4 m -118.09 158.38 25.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.841 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.528 -179.987 . . . . . . . . 1 1 . 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 -0.329 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 t -152.91 138.47 17.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.367 . . . . 0.0 110.842 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -152.6 149.39 28.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.33 96.12 0.11 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -156.26 140.3 16.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.853 0.359 . . . . 0.0 110.86 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -170.24 174.42 5.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.83 66.93 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.6 p -39.32 -50.38 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 111.081 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.17 146.82 41.74 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -88.84 140.66 29.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.897 0.379 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -124.8 82.69 60.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.537 0.685 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -5.67 16.77 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.369 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -137.29 116.7 12.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -133.57 130.25 38.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.1 t -72.33 123.58 23.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.43 39.08 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.583 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 13.6 mm-40 -125.72 -57.79 1.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -100.44 -46.64 5.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.22 41.74 0.27 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -113.75 172.04 7.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.764 0.316 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.7 m -141.91 164.06 31.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -149.24 -176.41 5.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 t -110.91 -46.95 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.3 pt -109.74 170.69 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 26' ' ' SER . 14.0 m -71.34 -57.79 4.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 25' ' ' SER . 3.9 m -35.48 -51.32 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -52.1 -59.88 3.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.2 tp -55.33 -47.34 75.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.55 -46.93 19.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.083 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.505 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 53.1 m -59.12 -61.43 2.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.18 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.408 ' CE1' HD11 ' A' ' 34' ' ' ILE . 77.3 t60 -49.16 -47.35 45.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -46.58 -21.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -53.28 -39.99 64.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.485 HG23 ' CD ' ' A' ' 33' ' ' ARG . 6.1 pt -77.86 -7.08 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.583 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 67.9 m-70 -104.72 -28.53 11.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.9 p -91.59 163.16 14.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.57 -150.21 18.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -71.18 166.51 21.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.6 tptt -119.7 133.66 23.86 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.575 0.702 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 170.02 17.6 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 0.0 112.321 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.8 t -42.37 142.27 0.82 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.72 -158.21 12.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.455 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -173.9 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 2.231 . . . . 0.0 112.362 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.7 m -156.6 154.27 29.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.8 m -90.93 161.1 15.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.821 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.485 -179.942 . . . . . . . . 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 -0.336 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -74.85 81.23 2.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.87 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.7 p -107.94 137.06 46.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.69 -133.0 2.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.444 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -101.15 86.85 3.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.0 p -120.2 150.67 40.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.825 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.52 175.27 25.5 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.51 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.7 m -90.07 -57.6 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 111.139 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.05 87.2 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.52 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -87.64 103.04 15.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -134.92 130.81 19.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.593 0.711 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -31.03 21.23 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.691 2.261 . . . . 0.0 112.333 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 94.1 m-85 -127.01 95.96 4.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' CB ' ' HA ' ' A' ' 21' ' ' SER . 5.5 pt-20 -144.06 147.38 33.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -75.54 123.18 25.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.58 33.67 2.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -122.18 -58.99 1.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.6 p -87.08 -54.92 4.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.51 44.4 0.11 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -125.17 158.97 32.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.774 0.321 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.401 ' HA ' ' CB ' ' A' ' 14' ' ' GLU . 11.9 p -131.32 160.35 35.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -138.77 -178.3 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -99.64 -47.67 5.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.5 pt -115.73 168.52 7.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.185 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.559 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 88.4 p -62.86 -60.83 2.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 25' ' ' SER . 5.5 t -34.9 -56.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -50.38 -48.87 55.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.21 -58.27 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.99 -53.48 16.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.478 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 73.0 m -52.94 -21.68 4.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.706 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.9 t60 -92.17 -48.1 6.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.823 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -50.84 -25.49 4.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.614 ' CZ ' HG22 ' A' ' 34' ' ' ILE . 5.6 ppt_? -56.56 -29.17 61.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.706 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.9 pt -64.03 -32.95 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.137 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -75.99 -33.89 59.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.58 111.91 24.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.3 38.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.7 86.03 7.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.943 0.401 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -109.51 76.11 0.83 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.709 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -39.51 6.33 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.689 2.26 . . . . 0.0 112.364 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -169.07 152.08 4.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.89 -76.25 1.3 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 165.51 30.73 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.713 2.276 . . . . 0.0 112.343 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 m -69.08 90.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.7 t -95.78 -60.46 1.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.81 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.484 -179.947 . . . . . . . . 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 1.452 -0.274 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -92.72 111.83 23.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.373 . . . . 0.0 110.916 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 p -126.15 162.38 25.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.31 134.22 7.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.449 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -119.21 42.62 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.377 . . . . 0.0 110.88 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -91.1 96.61 10.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.03 155.61 18.67 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.406 ' O ' HG23 ' A' ' 8' ' ' THR . 15.4 t -97.04 39.71 1.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.767 0.318 . . . . 0.0 111.107 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.16 157.45 24.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -124.49 143.68 50.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.936 0.398 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' NZ ' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -124.18 144.01 44.29 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.578 0.704 . . . . 0.0 110.935 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -21.69 33.27 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.704 2.27 . . . . 0.0 112.353 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 24' ' ' ILE . 70.5 m-85 -121.33 109.08 14.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -136.82 116.48 12.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.3 t -57.03 130.32 45.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.35 30.38 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -120.84 -55.69 1.98 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -102.11 -45.53 5.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.37 49.95 0.29 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.488 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -120.6 153.73 36.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.848 0.356 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 74.0 p -121.23 144.64 48.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -122.67 -178.27 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.1 m -99.88 -36.26 9.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.884 HD12 ' H ' ' A' ' 27' ' ' GLN . 1.9 pp -143.21 151.55 17.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 26' ' ' SER . 2.5 p -46.6 -58.06 4.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.472 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . 0.7 OUTLIER -33.0 -44.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 -179.808 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.884 ' H ' HD12 ' A' ' 24' ' ' ILE . 35.0 mt-30 -75.55 -48.67 21.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 25' ' ' SER . 25.7 tp -51.9 -44.63 63.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.77 -52.22 66.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.073 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.1 m -47.27 -30.97 3.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -77.06 -50.05 13.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -48.57 -19.01 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -59.3 -51.96 67.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.3 pt -63.26 -13.08 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -89.09 -37.73 14.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.812 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.1 p -81.32 82.23 7.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.162 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.35 -117.2 0.58 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.461 ' CD ' ' C ' ' A' ' 38' ' ' GLU . 1.7 tm-20 -101.55 120.78 40.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.877 0.37 . . . . 0.0 110.904 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 pttp -145.45 148.18 36.28 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.585 0.707 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 -174.53 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.683 2.256 . . . . 0.0 112.33 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.8 t -155.15 141.01 18.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -159.29 -72.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.517 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 149.26 66.62 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.6 t -60.94 169.03 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.7 p 41.69 42.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.494 179.99 . . . . . . . . 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 1.452 -0.292 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -55.07 -62.95 1.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 m -56.32 176.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.79 -62.13 0.14 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.506 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.4 p -130.43 119.88 23.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -122.47 150.76 42.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.83 -160.26 33.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.9 p -111.03 14.26 21.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.803 0.335 . . . . 0.0 111.099 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.71 86.11 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 11' ' ' LYS . 80.6 mm-40 -53.05 121.43 7.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.962 0.41 . . . . 0.0 110.864 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -33.6 96.84 0.1 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.582 0.706 . . . . 0.0 110.906 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.417 ' N ' ' O ' ' A' ' 10' ' ' GLU . 53.5 Cg_endo -69.85 -2.13 9.72 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.718 2.278 . . . . 0.0 112.277 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.496 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 32.8 m-85 -139.36 113.3 8.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.408 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 13.4 mp0 -124.31 133.46 53.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.4 t -71.06 120.04 16.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.17 38.71 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -128.26 -60.35 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.0 p -96.65 -47.24 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.49 52.08 0.24 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -128.56 132.98 48.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.417 ' HB2' ' CB ' ' A' ' 11' ' ' LYS . 53.4 p -94.8 157.66 15.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -140.3 145.05 36.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.9 t -74.33 -38.19 63.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 pt -122.04 154.94 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.496 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 77.8 p -62.16 -50.04 73.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 5.0 t -39.74 -58.09 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -45.19 -54.61 6.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.8 tp -49.87 -36.26 26.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 26' ' ' SER . . . -65.9 -50.67 63.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.454 ' O ' HG22 ' A' ' 30' ' ' THR . 87.5 m -66.6 -10.98 51.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -92.18 -59.84 2.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -46.91 -20.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -54.13 -14.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.0 pt -91.02 -23.33 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -81.73 16.25 1.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.0 p -99.52 30.16 3.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.45 173.32 7.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -112.19 -10.1 13.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -62.75 142.34 97.09 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.561 0.695 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 154.84 67.14 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.366 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.4 t -116.78 38.61 3.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.12 -86.84 1.82 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 126.09 12.91 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.244 . . . . 0.0 112.353 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.4 m -45.37 103.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 90.7 p -117.66 42.28 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.47 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 N--CA 1.465 -0.15 0 CA-C-O 120.848 0.27 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -106.63 82.66 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -104.66 148.08 26.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.7 t -101.4 123.34 45.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.31 36.71 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -121.34 -43.03 2.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.2 p -124.19 -41.24 2.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.73 37.89 0.53 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -106.35 176.44 5.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 87.7 p -155.38 161.31 41.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -148.25 174.11 12.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.6 m -92.25 -51.8 4.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.5 pt -109.5 174.17 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 28' ' ' LEU . 6.5 t -67.98 -59.09 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' SER . 15.1 m -34.62 -46.56 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.62 -47.67 84.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' SER . 54.3 tp -62.87 -40.47 97.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.73 -58.22 9.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.415 ' C ' ' HG3' ' A' ' 33' ' ' ARG . 33.5 m -51.36 -17.58 0.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 33' ' ' ARG . 75.2 t60 -91.54 -58.0 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -39.58 -25.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 31' ' ' HIS . 11.8 mtm180 -49.39 -53.95 19.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.3 pt -56.54 -13.48 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.87 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.787 0.245 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -124.77 107.71 11.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -133.21 122.64 24.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.0 t -80.47 131.52 35.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -104.82 7.0 34.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.639 ' CB ' ' CE1' ' A' ' 35' ' ' HIS . 22.2 mt-10 -86.95 -39.96 15.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.7 p -127.1 -35.13 2.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.44 60.69 0.49 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -131.27 166.83 20.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.32 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.7 p -133.32 163.99 28.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -148.84 175.46 11.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.5 t -107.8 -17.52 14.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.716 HD11 ' OE1' ' A' ' 27' ' ' GLN . 1.7 pt -141.71 152.49 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.2 t -62.79 -38.53 91.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 t -53.03 -41.59 64.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.716 ' OE1' HD11 ' A' ' 24' ' ' ILE . 29.8 mt-30 -72.52 -44.13 62.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.5 tp -58.58 -44.85 89.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.42 -57.76 10.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.079 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.7 m -52.05 -17.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.402 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.6 t60 -90.23 -40.22 12.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.793 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -55.48 -20.82 13.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.0 mtt-85 -64.66 -45.64 85.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 31' ' ' HIS . 2.3 pt -48.33 -24.24 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.639 ' CE1' ' CB ' ' A' ' 17' ' ' GLU . 80.6 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.765 0.235 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.512 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 64.5 m-85 -105.78 106.34 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -132.83 134.37 44.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.4 t -84.23 134.57 34.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -108.64 42.81 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -129.88 -58.16 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -107.31 -45.22 4.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.91 55.92 0.17 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -134.23 143.11 47.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.802 0.335 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.7 m -119.24 165.26 14.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -141.06 169.57 17.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.9 m -91.4 -35.43 14.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.41 142.79 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.177 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.512 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 1.1 t -54.17 -35.62 62.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.5 p -51.41 -52.57 44.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -61.07 -49.95 75.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 tp -52.12 -53.94 36.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.64 -45.8 58.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.5 m -61.3 -27.66 68.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -76.77 -41.19 45.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -55.03 -14.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -62.04 -52.05 65.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -61.1 -11.61 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.919 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.495 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.849 0.27 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 31.7 m-85 -148.77 112.82 5.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -143.81 158.44 43.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.2 t -95.43 132.3 40.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -106.27 36.46 2.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -125.26 -58.05 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -98.88 -45.72 5.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.84 70.3 0.29 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -146.59 116.79 7.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.822 0.344 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.7 p -98.12 153.76 18.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.447 ' CD1' ' HB3' ' A' ' 27' ' ' GLN . 78.2 m-85 -134.06 -177.67 4.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 t -101.41 -42.75 6.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.6 pt -120.8 -179.92 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.427 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 8.7 t -76.23 -50.17 15.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -44.14 -32.19 1.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.447 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 41.5 mm-40 -71.29 -51.52 23.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.0 tp -64.17 -33.27 75.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.29 -48.54 79.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.125 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.409 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 1.6 m -63.83 -17.78 63.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -90.88 -41.44 11.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -56.33 -13.59 2.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.409 ' NE ' ' HA ' ' A' ' 30' ' ' THR . 27.7 mtt-85 -65.38 -50.34 65.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.7 pt -64.93 -8.08 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.833 179.906 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.869 0.279 . . . . 0.0 112.364 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 65.0 m-85 -116.73 98.93 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -121.86 124.08 43.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.4 t -70.99 127.91 34.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.69 35.6 1.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -123.18 -50.23 1.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.9 p -114.36 -47.89 2.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.75 50.3 0.2 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -129.0 134.69 48.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.5 p -105.08 159.51 15.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.846 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.551 ' CD2' ' HA ' ' A' ' 28' ' ' LEU . 97.7 m-85 -134.93 156.9 48.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 t -68.45 -50.7 50.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 pt -117.33 167.96 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 51.3 p -64.94 -58.48 6.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 25' ' ' SER . 3.4 m -36.74 -52.19 0.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.864 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -53.16 -56.62 14.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.551 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 15.5 tp -51.69 -46.26 63.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.63 -46.11 73.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.9 m -62.11 -15.61 46.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 33' ' ' ARG . 27.9 t60 -92.14 -62.79 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -43.89 -22.24 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 34' ' ' ILE . 22.3 ptt180 -51.87 -38.47 56.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.437 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 5.8 pt -69.1 -17.92 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.912 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.847 0.269 . . . . 0.0 112.367 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 69.7 m-85 -128.59 91.39 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -111.49 121.93 46.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.9 t -58.51 125.06 21.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.3 40.3 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.066 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -126.68 -46.05 1.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -120.32 -46.32 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.5 35.61 0.28 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -95.59 155.01 16.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.7 p -128.17 157.39 40.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -153.98 170.44 21.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.0 m -87.16 -55.73 3.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.1 pt -112.17 168.54 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.167 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 35.1 p -60.15 -57.6 12.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 25' ' ' SER . 2.8 m -35.31 -46.64 0.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -60.06 -49.44 77.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.508 HD11 HE21 ' A' ' 32' ' ' GLN . 56.6 tp -61.41 -47.31 86.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.36 -53.43 54.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.0 m -56.34 -17.09 6.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 33' ' ' ARG . 31.1 t60 -92.03 -65.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.508 HE21 HD11 ' A' ' 28' ' ' LEU . 64.2 mt-30 -42.3 -23.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 34' ' ' ILE . 42.5 ptt85 -49.04 -41.66 35.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.471 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 8.8 pt -64.8 -23.37 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.411 ' N ' HG13 ' A' ' 34' ' ' ILE . 29.3 m-70 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.202 0 CA-C-O 120.81 0.254 . . . . 0.0 112.312 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -137.41 108.33 6.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -134.65 116.58 15.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.0 t -51.38 128.88 23.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.91 34.74 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' OE2' ' CB ' ' A' ' 35' ' ' HIS . 47.4 mt-10 -124.0 -50.99 1.8 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.6 p -111.02 -50.51 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.46 48.18 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.559 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -112.53 141.39 46.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.896 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.0 p -108.14 144.98 34.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 5.6 m-85 -134.81 168.4 19.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.4 m -92.44 -53.13 4.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.2 pt -103.15 163.84 3.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 26' ' ' SER . 24.2 t -67.77 -56.25 9.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' SER . 48.4 t -37.85 -58.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -44.76 -59.47 2.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 tp -49.89 -52.71 30.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.56 -48.86 65.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.7 m -62.26 -16.57 54.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.623 ' O ' HG23 ' A' ' 34' ' ' ILE . 1.9 t60 -92.39 -48.22 6.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -51.92 -24.68 6.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 34' ' ' ILE . 13.4 ptt85 -54.65 -37.07 65.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.623 HG23 ' O ' ' A' ' 31' ' ' HIS . 11.9 pt -52.17 -34.99 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CB ' ' OE2' ' A' ' 17' ' ' GLU . 78.9 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.465 -0.171 0 CA-C-O 120.859 0.275 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 84.0 m-85 -118.16 97.15 5.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -122.38 149.95 43.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.2 t -87.2 124.29 33.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.1 35.91 1.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.106 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -125.55 -60.96 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.1 p -91.77 -47.78 7.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.21 40.13 0.45 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.466 ' NZ ' ' CE1' ' A' ' 31' ' ' HIS . 21.9 mtmt -117.53 171.92 7.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.2 m -133.46 164.82 26.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -145.43 157.88 43.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 m -83.37 -46.65 12.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.8 pt -108.25 168.69 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 44.0 p -77.17 -21.48 53.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -71.49 -46.79 58.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -54.53 -41.75 70.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 tp -71.52 -47.49 54.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.06 -47.62 71.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.414 ' C ' ' HG3' ' A' ' 33' ' ' ARG . 25.0 m -70.82 -11.09 60.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 33' ' ' ARG . 32.1 t60 -90.35 -59.81 2.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' HIS . 32.6 mt-30 -37.06 -29.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 31' ' ' HIS . 16.4 mtm180 -47.1 -50.9 19.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -52.15 -24.75 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.189 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.468 ' N ' HG13 ' A' ' 34' ' ' ILE . 63.4 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.843 0.268 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -120.07 123.89 44.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -140.4 123.13 16.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.2 t -65.88 158.82 26.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.42 -35.85 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.104 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 6.3 mm-40 -48.44 -40.3 25.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.8 p -118.09 -47.8 2.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.57 55.04 0.36 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -118.45 154.95 31.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.483 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 53.9 p -113.82 156.59 23.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 21' ' ' SER . 11.2 m-85 -147.37 159.49 43.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 m -83.24 -48.28 10.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.4 pt -113.91 177.33 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.154 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 26' ' ' SER . 59.5 p -78.52 -59.31 2.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' SER . 1.1 t -35.57 -50.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -52.52 -57.56 9.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp -53.85 -48.39 70.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.47 -51.22 56.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.5 m -59.49 -17.32 30.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 33' ' ' ARG . 7.3 t60 -91.98 -57.03 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -38.34 -26.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' HIS . 2.1 mtm105 -52.12 -46.85 65.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.8 pt -48.45 -26.73 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 92.2 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.814 0.256 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -88.34 95.23 10.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -115.32 136.12 53.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -73.49 158.05 35.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.06 -16.55 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.572 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.0 mm-40 -80.15 -42.17 23.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.2 p -117.03 -43.57 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.11 5.58 17.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.507 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -79.09 135.97 37.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.338 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.4 p -92.4 172.12 8.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -149.85 149.81 31.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.2 m -63.74 -48.2 77.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.0 pt -118.79 -179.42 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' LEU . 12.9 t -79.4 -56.17 4.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' SER . 3.4 m -37.42 -46.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -60.89 -44.17 97.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.782 HD11 HE21 ' A' ' 32' ' ' GLN . 26.7 tp -65.83 -51.2 60.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.01 -52.54 64.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.415 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 5.0 m -64.49 -10.47 25.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -92.11 -55.89 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.782 HE21 HD11 ' A' ' 28' ' ' LEU . 54.5 mt-30 -51.07 -18.72 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 34' ' ' ILE . 4.9 ppt_? -61.52 -38.29 86.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.466 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 6.6 pt -61.98 -26.83 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 32.9 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.794 0.248 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 84.9 m-85 -134.53 109.98 9.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -131.21 142.44 50.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.1 t -83.35 123.51 29.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.34 40.04 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -127.02 -54.67 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.8 p -107.48 -47.75 3.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.54 56.51 0.16 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.497 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -135.21 121.96 20.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.2 m -90.91 163.49 14.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -146.01 146.68 31.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.6 m -71.81 -45.18 62.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 pt -115.26 151.7 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 16.2 t -56.22 -60.1 3.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 25' ' ' SER . 71.8 m -35.75 -52.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.816 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -48.32 -46.3 36.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.445 HD21 ' NE2' ' A' ' 32' ' ' GLN . 21.5 tp -62.55 -47.58 83.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.84 -53.87 35.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.076 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.416 ' C ' ' HG3' ' A' ' 33' ' ' ARG . 20.2 m -51.34 -22.21 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.179 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.473 ' O ' ' N ' ' A' ' 33' ' ' ARG . 21.7 t60 -91.33 -56.96 2.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.802 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.445 ' NE2' HD21 ' A' ' 28' ' ' LEU . 83.4 mt-30 -40.03 -25.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' HIS . 8.2 mtm180 -52.17 -45.49 65.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -68.39 -21.62 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.418 ' N ' HG13 ' A' ' 34' ' ' ILE . 15.4 m-70 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.818 0.257 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CE2' ' HA ' ' A' ' 24' ' ' ILE . 73.8 m-85 -121.09 123.97 43.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -141.62 119.69 12.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.5 t -68.67 147.23 52.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -105.38 -27.12 11.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.539 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 33.4 mm-40 -54.43 -57.17 12.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.5 p -106.66 -46.11 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.77 33.27 0.94 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.505 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 22.4 mtpt -95.25 175.28 6.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.81 0.338 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.401 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 88.4 p -135.48 166.7 22.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.418 ' CZ ' ' CB ' ' A' ' 31' ' ' HIS . 86.4 m-85 -152.45 171.18 18.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.8 t -83.6 -42.47 16.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.856 HD12 ' H ' ' A' ' 27' ' ' GLN . 1.9 pp -141.12 170.87 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 28' ' ' LEU . 13.1 p -59.06 -63.97 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.7 ' HB2' HD13 ' A' ' 24' ' ' ILE . 1.5 m -32.94 -36.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.856 ' H ' HD12 ' A' ' 24' ' ' ILE . 32.8 mt-30 -80.46 -46.52 15.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 25' ' ' SER . 19.6 tp -59.01 -42.31 89.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.76 -52.48 65.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.4 m -49.25 -19.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.505 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 42.5 t60 -91.98 -65.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -42.81 -24.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 31' ' ' HIS . 23.4 ptt85 -46.82 -34.99 5.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 35' ' ' HIS . 16.4 pt -73.29 -28.57 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.539 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 56.3 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.186 0 CA-C-O 120.791 0.246 . . . . 0.0 112.3 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -128.54 94.96 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -143.88 123.82 13.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.1 t -66.04 134.72 53.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.13 -34.83 15.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -50.08 -60.38 3.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -95.25 -47.05 6.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.25 37.78 1.31 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.535 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.507 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 13.7 tptm -101.95 127.84 48.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.76 0.314 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.6 p -101.04 148.38 25.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.813 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.507 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 96.5 m-85 -136.36 162.66 32.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.935 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 t -85.17 -42.77 14.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 pt -116.0 138.65 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.169 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 26' ' ' SER . 3.4 t -44.18 -56.9 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' SER . 47.6 t -34.04 -59.18 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.847 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.498 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 12.2 mm100 -44.66 -47.67 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' SER . 25.1 tp -58.41 -53.09 62.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.31 -47.1 69.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.0 m -64.6 -13.12 51.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.136 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.417 ' CD2' ' N ' ' A' ' 32' ' ' GLN . 2.9 t60 -92.92 -57.22 2.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.417 ' N ' ' CD2' ' A' ' 31' ' ' HIS . 55.6 mt-30 -45.67 -24.92 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.7 ptt85 -48.75 -33.37 10.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.467 HG13 ' N ' ' A' ' 35' ' ' HIS . 15.0 pt -71.53 -31.25 42.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.467 ' N ' HG13 ' A' ' 34' ' ' ILE . 50.8 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.795 0.248 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.404 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 71.3 m-85 -98.71 120.99 40.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -142.3 115.47 8.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -52.66 134.15 36.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.22 31.02 4.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.051 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -119.54 -49.79 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.8 p -112.55 -48.54 3.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.06 51.97 0.13 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.29 174.32 5.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.846 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.5 p -139.37 153.43 47.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -147.45 160.17 42.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.3 t -83.51 -42.19 17.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.506 HD12 ' OG ' ' A' ' 26' ' ' SER . 24.2 pt -120.13 144.45 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.148 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.404 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 24.1 t -55.65 -48.4 75.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.506 ' OG ' HD12 ' A' ' 24' ' ' ILE . 20.7 p -41.33 -41.88 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.808 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -68.54 -51.77 39.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 tp -51.94 -54.85 24.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.1 -51.39 10.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.494 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 96.8 m -55.21 -39.83 70.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.573 ' O ' HG23 ' A' ' 34' ' ' ILE . 1.5 t60 -68.97 -40.46 78.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -52.71 -16.52 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 30' ' ' THR . 0.3 OUTLIER -63.24 -31.96 73.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 31' ' ' HIS . 10.3 pt -59.29 -20.29 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.176 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.846 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.849 0.27 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.63 ' HB3' HD22 ' A' ' 28' ' ' LEU . 78.9 m-85 -115.25 110.76 19.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -144.14 144.41 31.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.7 t -85.14 137.34 33.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -107.8 35.22 3.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -123.97 -61.17 1.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.2 p -92.14 -50.85 5.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.27 51.61 0.21 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.544 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -133.54 124.63 27.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.8 p -100.2 163.49 12.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.05 174.81 10.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -92.76 -47.81 6.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.0 pt -112.18 179.38 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 36.7 t -78.85 -58.56 3.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.825 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.8 t -37.74 -39.58 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -67.95 -46.9 70.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.63 HD22 ' HB3' ' A' ' 13' ' ' PHE . 40.1 tp -61.7 -52.98 62.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.74 -55.97 14.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.465 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 9.9 m -51.96 -20.14 2.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.728 ' O ' HG23 ' A' ' 34' ' ' ILE . 2.9 t60 -92.1 -48.28 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -50.41 -29.16 9.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 30' ' ' THR . 3.4 ppt_? -53.43 -30.61 41.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.728 HG23 ' O ' ' A' ' 31' ' ' HIS . 6.1 pt -56.34 -46.44 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.561 ' NE2' HD11 ' A' ' 34' ' ' ILE . 74.2 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.171 0 CA-C-O 120.846 0.269 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.471 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 61.0 m-85 -101.11 89.84 3.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -124.28 111.57 15.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.1 t -53.92 121.96 9.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.55 38.5 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -124.66 -55.06 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.1 p -103.81 -47.21 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.26 53.32 0.14 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.505 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -128.15 173.54 10.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.827 0.346 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -139.98 169.19 18.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -151.16 164.18 37.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.6 m -80.7 -50.44 9.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.5 pt -119.32 163.68 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.471 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 70.2 p -59.74 -55.92 28.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' SER . 3.3 t -35.37 -50.37 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -57.37 -47.44 81.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 25' ' ' SER . 41.0 tp -57.46 -48.54 78.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.64 -43.99 76.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 m -63.6 -14.76 54.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -91.98 -50.67 5.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -49.13 -18.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.49 ' CD ' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -54.96 -36.77 65.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.49 HG23 ' CD ' ' A' ' 33' ' ' ARG . 6.1 pt -82.35 -9.83 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 179.943 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.871 0.279 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -137.29 116.7 12.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -133.57 130.25 38.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.1 t -72.33 123.58 23.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.43 39.08 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.583 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 13.6 mm-40 -125.72 -57.79 1.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -100.44 -46.64 5.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.22 41.74 0.27 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -113.75 172.04 7.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.764 0.316 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.7 m -141.91 164.06 31.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -149.24 -176.41 5.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 t -110.91 -46.95 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.3 pt -109.74 170.69 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 26' ' ' SER . 14.0 m -71.34 -57.79 4.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 25' ' ' SER . 3.9 m -35.48 -51.32 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -52.1 -59.88 3.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.405 ' HG ' ' NE2' ' A' ' 32' ' ' GLN . 59.2 tp -55.33 -47.34 75.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.55 -46.93 19.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.083 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.505 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 53.1 m -59.12 -61.43 2.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.18 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.408 ' CE1' HD11 ' A' ' 34' ' ' ILE . 77.3 t60 -49.16 -47.35 45.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.405 ' NE2' ' HG ' ' A' ' 28' ' ' LEU . 20.8 mt-30 -46.58 -21.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -53.28 -39.99 64.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.485 HG23 ' CD ' ' A' ' 33' ' ' ARG . 6.1 pt -77.86 -7.08 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.583 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 67.9 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.19 0 CA-C-O 120.775 0.24 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 94.1 m-85 -127.01 95.96 4.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.401 ' CB ' ' HA ' ' A' ' 21' ' ' SER . 5.5 pt-20 -144.06 147.38 33.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -75.54 123.18 25.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.58 33.67 2.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -122.18 -58.99 1.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.6 p -87.08 -54.92 4.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.51 44.4 0.11 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -125.17 158.97 32.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.774 0.321 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.401 ' HA ' ' CB ' ' A' ' 14' ' ' GLU . 11.9 p -131.32 160.35 35.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -138.77 -178.3 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -99.64 -47.67 5.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.5 pt -115.73 168.52 7.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.185 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.559 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 88.4 p -62.86 -60.83 2.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 25' ' ' SER . 5.5 t -34.9 -56.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -50.38 -48.87 55.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.21 -58.27 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.99 -53.48 16.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.478 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 73.0 m -52.94 -21.68 4.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.706 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.9 t60 -92.17 -48.1 6.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.823 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -50.84 -25.49 4.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.614 ' CZ ' HG22 ' A' ' 34' ' ' ILE . 5.6 ppt_? -56.56 -29.17 61.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.706 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.9 pt -64.03 -32.95 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.137 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.882 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.232 0.192 0 CA-C-O 120.787 0.245 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 24' ' ' ILE . 70.5 m-85 -121.33 109.08 14.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -136.82 116.48 12.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.3 t -57.03 130.32 45.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.35 30.38 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -120.84 -55.69 1.98 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -102.11 -45.53 5.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.37 49.95 0.29 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.488 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -120.6 153.73 36.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.848 0.356 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 74.0 p -121.23 144.64 48.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -122.67 -178.27 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.1 m -99.88 -36.26 9.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.884 HD12 ' H ' ' A' ' 27' ' ' GLN . 1.9 pp -143.21 151.55 17.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 26' ' ' SER . 2.5 p -46.6 -58.06 4.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.472 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . 0.7 OUTLIER -33.0 -44.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 -179.808 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.884 ' H ' HD12 ' A' ' 24' ' ' ILE . 8.2 mt-30 -75.55 -48.67 21.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 25' ' ' SER . 25.7 tp -51.9 -44.63 63.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.77 -52.22 66.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.073 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.1 m -47.27 -30.97 3.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -77.06 -50.05 13.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -48.57 -19.01 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -59.3 -51.96 67.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.3 pt -63.26 -13.08 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.812 179.931 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.786 0.244 . . . . 0.0 112.277 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.496 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 32.8 m-85 -139.36 113.3 8.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.408 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 13.4 mp0 -124.31 133.46 53.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.4 t -71.06 120.04 16.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.17 38.71 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -128.26 -60.35 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.0 p -96.65 -47.24 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.49 52.08 0.24 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -128.56 132.98 48.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.4 p -94.8 157.66 15.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -140.3 145.05 36.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.9 t -74.33 -38.19 63.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 pt -122.04 154.94 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.496 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 77.8 p -62.16 -50.04 73.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 5.0 t -39.74 -58.09 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -45.19 -54.61 6.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.8 tp -49.87 -36.26 26.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 26' ' ' SER . . . -65.9 -50.67 63.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 30' ' ' THR . 87.5 m -66.6 -10.98 51.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -92.18 -59.84 2.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -46.91 -20.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -54.13 -14.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.0 pt -91.02 -23.33 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.895 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -113.3 98.0 6.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.887 0.375 . . . . 0.0 110.853 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 t -104.22 149.01 25.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.67 77.22 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.47 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.7 t -116.31 120.33 38.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -162.18 170.28 19.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.17 141.16 7.23 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.7 p -125.47 39.84 3.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.826 0.346 . . . . 0.0 111.117 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.78 89.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -85.16 176.52 8.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.904 0.383 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -164.72 155.14 12.58 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.584 0.707 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -28.32 25.27 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -106.63 82.66 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -104.66 148.08 26.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.7 t -101.4 123.34 45.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.31 36.71 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -121.34 -43.03 2.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.2 p -124.19 -41.24 2.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.73 37.89 0.53 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -106.35 176.44 5.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 87.7 p -155.38 161.31 41.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -148.25 174.11 12.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.6 m -92.25 -51.8 4.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.5 pt -109.5 174.17 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 28' ' ' LEU . 6.5 t -67.98 -59.09 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 25' ' ' SER . 15.1 m -34.62 -46.56 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.62 -47.67 84.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' SER . 54.3 tp -62.87 -40.47 97.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.73 -58.22 9.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.415 ' C ' ' HG3' ' A' ' 33' ' ' ARG . 33.5 m -51.36 -17.58 0.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 33' ' ' ARG . 75.2 t60 -91.54 -58.0 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.472 ' O ' HG23 ' A' ' 36' ' ' THR . 31.3 mm-40 -39.58 -25.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 31' ' ' HIS . 11.8 mtm180 -49.39 -53.95 19.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.3 pt -56.54 -13.48 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -101.81 -35.22 9.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 32' ' ' GLN . 38.7 p -73.34 115.2 12.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 168.09 -38.23 0.22 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.85 179.07 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.947 0.404 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.08 78.1 74.62 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.592 0.71 . . . . 0.0 110.857 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -50.42 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.709 2.272 . . . . 0.0 112.322 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.4 m -127.65 174.88 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.31 -93.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 176.46 6.76 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.322 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -92.38 157.26 16.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.1 t -49.89 -59.58 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.483 -179.993 . . . . . . . . 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 -0.325 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t 64.78 41.88 4.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.374 . . . . 0.0 110.903 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -69.8 -57.89 4.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.837 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.73 -80.56 0.3 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.508 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -53.21 -43.52 67.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.874 0.368 . . . . 0.0 110.887 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.0 t 45.85 49.34 11.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.822 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.82 117.73 0.78 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.1 t -87.53 -5.33 58.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 111.103 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.15 178.82 45.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.499 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -148.98 119.87 7.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.905 0.383 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.47 ' CG ' ' HB2' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -93.47 143.3 26.42 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.595 0.712 . . . . 0.0 110.876 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -29.67 23.25 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.655 2.237 . . . . 0.0 112.353 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -124.77 107.71 11.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.47 ' HB2' ' CG ' ' A' ' 11' ' ' LYS . 37.6 tt0 -133.21 122.64 24.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.0 t -80.47 131.52 35.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -104.82 7.0 34.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.639 ' CB ' ' CE1' ' A' ' 35' ' ' HIS . 22.2 mt-10 -86.95 -39.96 15.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.7 p -127.1 -35.13 2.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.44 60.69 0.49 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -131.27 166.83 20.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.32 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.7 p -133.32 163.99 28.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -148.84 175.46 11.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.5 t -107.8 -17.52 14.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.716 HD11 ' OE1' ' A' ' 27' ' ' GLN . 1.7 pt -141.71 152.49 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.2 t -62.79 -38.53 91.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 t -53.03 -41.59 64.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.716 ' OE1' HD11 ' A' ' 24' ' ' ILE . 29.8 mt-30 -72.52 -44.13 62.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.5 tp -58.58 -44.85 89.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.42 -57.76 10.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.079 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.7 m -52.05 -17.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.402 ' O ' HG23 ' A' ' 34' ' ' ILE . 8.6 t60 -90.23 -40.22 12.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.793 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -55.48 -20.82 13.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.893 ' O ' HG22 ' A' ' 36' ' ' THR . 21.0 mtt-85 -64.66 -45.64 85.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 31' ' ' HIS . 2.3 pt -48.33 -24.24 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.639 ' CE1' ' CB ' ' A' ' 17' ' ' GLU . 80.6 m-70 -75.28 -34.78 61.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.893 HG22 ' O ' ' A' ' 33' ' ' ARG . 12.4 t -34.12 141.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.15 -155.9 49.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -160.33 148.79 16.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.877 0.37 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -77.63 153.06 81.03 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.584 0.707 . . . . 0.0 110.837 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 41' ' ' SER . 54.0 Cg_endo -69.76 -8.82 24.58 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.682 2.254 . . . . 0.0 112.361 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 40' ' ' PRO . 2.0 m -36.43 -40.4 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -142.24 145.82 16.33 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.52 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 155.38 66.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.376 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 81.2 p -167.51 114.24 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.1 t -68.67 -58.29 4.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.491 -179.926 . . . . . . . . 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 -0.329 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 p -112.93 -43.89 3.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 0.0 110.856 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -63.81 142.68 58.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.74 100.08 0.23 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.7 p -171.13 114.52 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.93 0.395 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.7 m -113.33 107.33 15.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.16 59.08 7.22 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.451 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.9 m -124.43 83.72 2.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.873 0.368 . . . . 0.0 111.132 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.32 62.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -84.6 -26.22 28.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.867 0.365 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -92.09 146.93 33.7 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.517 0.675 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -29.69 23.63 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.328 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.512 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 64.5 m-85 -105.78 106.34 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -132.83 134.37 44.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.4 t -84.23 134.57 34.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -108.64 42.81 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -129.88 -58.16 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 p -107.31 -45.22 4.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.91 55.92 0.17 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -134.23 143.11 47.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.802 0.335 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.7 m -119.24 165.26 14.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -141.06 169.57 17.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.9 m -91.4 -35.43 14.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.41 142.79 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.177 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.512 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 1.1 t -54.17 -35.62 62.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.5 p -51.41 -52.57 44.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -61.07 -49.95 75.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 tp -52.12 -53.94 36.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.64 -45.8 58.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.5 m -61.3 -27.66 68.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -76.77 -41.19 45.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -55.03 -14.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -62.04 -52.05 65.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -61.1 -11.61 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -94.91 -33.71 12.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.2 p -93.43 86.64 5.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.136 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.89 169.42 42.43 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -173.23 155.08 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -163.5 143.88 6.95 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.594 0.712 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -16.9 37.74 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -61.49 -53.59 54.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.882 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.68 83.42 0.33 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -173.27 0.69 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.391 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.7 t -117.92 84.95 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.7 p -158.39 174.78 14.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.825 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.495 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 p -109.16 85.39 2.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.826 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -76.2 -57.1 4.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 153.3 -80.37 0.19 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.478 ' O ' ' CE ' ' A' ' 11' ' ' LYS . 42.8 t 35.08 43.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.912 0.386 . . . . 0.0 110.837 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 p -88.34 -49.57 6.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.836 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.41 -153.03 2.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.466 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.3 p -93.34 36.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 111.117 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.32 164.54 30.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.466 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -113.77 111.5 21.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.908 0.385 . . . . 0.0 110.834 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' CE ' ' O ' ' A' ' 5' ' ' SER . 15.6 mtmm -113.52 82.65 6.3 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.567 0.698 . . . . 0.0 110.942 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.495 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.73 -4.92 14.98 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.357 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 31.7 m-85 -148.77 112.82 5.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -143.81 158.44 43.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.2 t -95.43 132.3 40.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -106.27 36.46 2.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -125.26 -58.05 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -98.88 -45.72 5.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.84 70.3 0.29 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -146.59 116.79 7.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.822 0.344 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.7 p -98.12 153.76 18.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.447 ' CD1' ' HB3' ' A' ' 27' ' ' GLN . 78.2 m-85 -134.06 -177.67 4.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 t -101.41 -42.75 6.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.6 pt -120.8 -179.92 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.427 ' HA ' ' CD2' ' A' ' 13' ' ' PHE . 8.7 t -76.23 -50.17 15.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -44.14 -32.19 1.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.447 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 41.5 mm-40 -71.29 -51.52 23.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.0 tp -64.17 -33.27 75.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.29 -48.54 79.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.125 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.409 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 1.6 m -63.83 -17.78 63.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -90.88 -41.44 11.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.55 ' O ' HG22 ' A' ' 36' ' ' THR . 35.4 mt-30 -56.33 -13.59 2.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.409 ' NE ' ' HA ' ' A' ' 30' ' ' THR . 27.7 mtt-85 -65.38 -50.34 65.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.7 pt -64.93 -8.08 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -99.28 -33.35 10.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.833 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 32' ' ' GLN . 8.9 t -103.17 145.28 30.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -104.38 -88.94 2.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.525 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -140.94 140.85 34.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.897 0.38 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -117.12 80.65 11.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.721 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -7.67 21.66 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.717 2.278 . . . . 0.0 112.307 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.4 t -100.04 116.02 31.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 58.57 66.21 2.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.461 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -22.97 31.38 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.687 2.258 . . . . 0.0 112.352 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.2 p -147.49 146.78 29.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.3 m -112.72 95.47 5.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.482 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -39.57 126.3 1.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.869 0.366 . . . . 0.0 110.842 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 p -81.81 -7.87 59.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.795 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.99 140.02 3.22 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.5 p -166.45 117.77 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.868 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.0 p -105.45 42.28 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.68 125.83 5.73 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.9 m -118.39 -40.73 2.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 0.0 111.119 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.94 89.21 0.91 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -124.7 73.85 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.915 0.388 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -114.43 158.85 38.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.575 0.703 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -27.31 26.76 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.364 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 65.0 m-85 -116.73 98.93 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -121.86 124.08 43.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.4 t -70.99 127.91 34.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.69 35.6 1.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -123.18 -50.23 1.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.9 p -114.36 -47.89 2.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.75 50.3 0.2 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -129.0 134.69 48.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.5 p -105.08 159.51 15.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.846 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.551 ' CD2' ' HA ' ' A' ' 28' ' ' LEU . 97.7 m-85 -134.93 156.9 48.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 t -68.45 -50.7 50.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 pt -117.33 167.96 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 51.3 p -64.94 -58.48 6.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 25' ' ' SER . 3.4 m -36.74 -52.19 0.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.864 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -53.16 -56.62 14.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.551 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 15.5 tp -51.69 -46.26 63.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.63 -46.11 73.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.9 m -62.11 -15.61 46.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 33' ' ' ARG . 27.9 t60 -92.14 -62.79 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -43.89 -22.24 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 34' ' ' ILE . 22.3 ptt180 -51.87 -38.47 56.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.437 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 5.8 pt -69.1 -17.92 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -88.73 -37.26 15.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.6 p -78.1 -45.07 24.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.66 74.93 1.29 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.48 69.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.882 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.76 144.05 47.1 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.598 0.713 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -6.04 17.6 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.351 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.2 m 65.37 38.82 5.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.58 147.44 7.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.431 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.2 Cg_endo -69.8 2.61 3.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 43' ' ' PRO . 1.4 t -34.57 -44.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.812 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.1 p -165.66 143.41 5.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.455 -179.983 . . . . . . . . 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 -0.302 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m -87.85 109.66 19.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.836 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.1 m -94.35 85.09 4.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.88 128.95 2.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 6' ' ' SER . 65.9 p -64.09 109.94 2.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.867 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 5' ' ' SER . 2.1 m -35.49 -47.01 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.75 156.77 7.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.503 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -130.18 38.82 3.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 111.155 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.7 62.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.537 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -77.8 -26.86 49.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -140.82 146.72 45.35 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.521 0.677 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -19.86 35.52 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.65 2.233 . . . . 0.0 112.367 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 69.7 m-85 -128.59 91.39 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -111.49 121.93 46.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.9 t -58.51 125.06 21.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.3 40.3 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.066 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -126.68 -46.05 1.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -120.32 -46.32 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.5 35.61 0.28 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -95.59 155.01 16.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.7 p -128.17 157.39 40.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -153.98 170.44 21.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.0 m -87.16 -55.73 3.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.1 pt -112.17 168.54 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.167 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 35.1 p -60.15 -57.6 12.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 25' ' ' SER . 2.8 m -35.31 -46.64 0.38 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -60.06 -49.44 77.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.508 HD11 HE21 ' A' ' 32' ' ' GLN . 56.6 tp -61.41 -47.31 86.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.36 -53.43 54.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.0 m -56.34 -17.09 6.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 33' ' ' ARG . 31.1 t60 -92.03 -65.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.508 HE21 HD11 ' A' ' 28' ' ' LEU . 64.2 mt-30 -42.3 -23.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 34' ' ' ILE . 42.5 ptt85 -49.04 -41.66 35.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.471 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 8.8 pt -64.8 -23.37 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.411 ' N ' HG13 ' A' ' 34' ' ' ILE . 29.3 m-70 -84.74 -32.67 23.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.7 t -101.32 153.23 19.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.02 -92.31 0.22 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.473 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -125.98 141.82 51.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.946 0.403 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 21.9 ttmt -173.65 140.54 0.84 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.561 0.696 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.77 90.09 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.63 2.22 . . . . 0.0 112.364 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.3 p -106.21 105.03 14.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 60.54 -158.16 28.18 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -7.72 21.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.367 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.7 m -45.62 151.24 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 t -83.32 136.08 34.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.503 -179.985 . . . . . . . . 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 1.452 -0.3 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 m -146.81 167.97 22.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.357 . . . . 0.0 110.906 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.2 p -130.58 141.65 50.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.94 -129.87 0.1 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -167.43 156.0 9.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.838 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 t -89.04 122.9 32.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.5 74.61 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 62.8 p -96.31 88.9 4.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.33 . . . . 0.0 111.083 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.59 78.5 0.12 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -72.41 166.47 22.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.914 0.388 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.406 ' CD ' ' O ' ' A' ' 22' ' ' PHE . 42.2 mttm -81.86 153.55 70.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.551 0.691 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -2.96 11.04 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.736 2.291 . . . . 0.0 112.312 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -137.41 108.33 6.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -134.65 116.58 15.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.0 t -51.38 128.88 23.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.91 34.74 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' OE2' ' CB ' ' A' ' 35' ' ' HIS . 47.4 mt-10 -124.0 -50.99 1.8 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.6 p -111.02 -50.51 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.46 48.18 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.559 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -112.53 141.39 46.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.896 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.0 p -108.14 144.98 34.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 5.6 m-85 -134.81 168.4 19.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.4 m -92.44 -53.13 4.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.2 pt -103.15 163.84 3.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 26' ' ' SER . 24.2 t -67.77 -56.25 9.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' SER . 48.4 t -37.85 -58.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -44.76 -59.47 2.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 tp -49.89 -52.71 30.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.56 -48.86 65.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.7 m -62.26 -16.57 54.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.623 ' O ' HG23 ' A' ' 34' ' ' ILE . 1.9 t60 -92.39 -48.22 6.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -51.92 -24.68 6.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 34' ' ' ILE . 13.4 ptt85 -54.65 -37.07 65.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.623 HG23 ' O ' ' A' ' 31' ' ' HIS . 11.9 pt -52.17 -34.99 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CB ' ' OE2' ' A' ' 17' ' ' GLU . 78.9 m-70 -78.26 -32.87 49.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 77.8 p -97.21 42.82 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.72 -153.22 11.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -109.83 81.26 1.41 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.952 0.406 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -151.75 149.47 23.95 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 92.47 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.71 2.274 . . . . 0.0 112.368 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 42' ' ' GLY . 31.4 t -124.84 139.66 53.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' SER . . . 36.33 72.07 0.16 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.521 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -45.29 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.31 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.1 m -66.25 156.95 32.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 86.8 p -106.24 42.01 1.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.792 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.479 -179.988 . . . . . . . . 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 -0.329 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 p -160.65 147.33 15.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.838 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.2 p -63.84 120.46 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.61 -98.04 0.11 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 t 38.03 41.94 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 110.864 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -134.78 129.03 33.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.37 79.7 0.88 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.446 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.6 p -119.8 -48.5 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.27 134.81 8.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.45 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.444 ' CD ' ' O ' ' A' ' 10' ' ' GLU . 2.8 pp20? -136.29 131.29 34.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -125.49 143.97 46.42 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.586 0.708 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -16.84 37.57 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.371 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 25' ' ' SER . 84.0 m-85 -118.16 97.15 5.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -122.38 149.95 43.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.2 t -87.2 124.29 33.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.1 35.91 1.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.106 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -125.55 -60.96 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.1 p -91.77 -47.78 7.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.21 40.13 0.45 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.466 ' NZ ' ' CE1' ' A' ' 31' ' ' HIS . 21.9 mtmt -117.53 171.92 7.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.2 m -133.46 164.82 26.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -145.43 157.88 43.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.8 m -83.37 -46.65 12.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.8 pt -108.25 168.69 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 44.0 p -77.17 -21.48 53.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -71.49 -46.79 58.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -54.53 -41.75 70.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 tp -71.52 -47.49 54.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.06 -47.62 71.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.414 ' C ' ' HG3' ' A' ' 33' ' ' ARG . 25.0 m -70.82 -11.09 60.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 33' ' ' ARG . 32.1 t60 -90.35 -59.81 2.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' HIS . 32.6 mt-30 -37.06 -29.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 31' ' ' HIS . 16.4 mtm180 -47.1 -50.9 19.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -52.15 -24.75 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.189 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.468 ' N ' HG13 ' A' ' 34' ' ' ILE . 63.4 m-70 -87.75 -31.34 19.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.1 p -90.79 36.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.151 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.91 -49.6 3.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -72.23 135.8 46.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.959 0.409 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.478 ' CD ' ' HD2' ' A' ' 40' ' ' PRO . 15.8 tptm -103.66 138.11 19.44 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.563 0.697 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.478 ' HD2' ' CD ' ' A' ' 39' ' ' LYS . 53.2 Cg_endo -69.81 110.83 2.66 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -113.11 102.32 10.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -156.46 73.46 0.24 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.531 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 165.69 30.11 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.715 2.277 . . . . 0.0 112.35 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.1 t -157.86 132.42 8.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.6 p -60.07 154.25 19.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.525 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -153.26 126.28 8.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.914 0.387 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -112.89 142.1 45.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.54 156.86 8.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.46 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.7 p -156.36 164.63 38.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -128.59 -50.88 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.36 114.45 0.62 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.6 p -86.02 39.27 0.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.801 0.334 . . . . 0.0 111.106 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.16 176.04 23.33 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -90.2 123.71 34.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.93 0.395 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -123.41 84.32 52.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -25.32 28.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.27 . . . . 0.0 112.345 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -120.07 123.89 44.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -140.4 123.13 16.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.2 t -65.88 158.82 26.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.42 -35.85 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.104 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 6.3 mm-40 -48.44 -40.3 25.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.8 p -118.09 -47.8 2.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.57 55.04 0.36 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -118.45 154.95 31.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.483 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 53.9 p -113.82 156.59 23.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 21' ' ' SER . 11.2 m-85 -147.37 159.49 43.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 m -83.24 -48.28 10.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.4 pt -113.91 177.33 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.154 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 26' ' ' SER . 59.5 p -78.52 -59.31 2.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' SER . 1.1 t -35.57 -50.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -52.52 -57.56 9.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp -53.85 -48.39 70.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.47 -51.22 56.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.067 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.5 m -59.49 -17.32 30.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 33' ' ' ARG . 7.3 t60 -91.98 -57.03 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -38.34 -26.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.905 ' O ' HG23 ' A' ' 36' ' ' THR . 2.1 mtm105 -52.12 -46.85 65.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.8 pt -48.45 -26.73 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 92.2 m-70 -83.24 17.56 2.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.905 HG23 ' O ' ' A' ' 33' ' ' ARG . 6.6 p -58.51 -59.6 5.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.93 109.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -84.19 38.68 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.929 0.395 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -165.06 136.77 3.33 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.56 0.695 . . . . 0.0 110.954 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 91.44 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.4 p -114.41 173.19 6.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.82 172.42 55.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.532 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -172.39 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.8 m -131.89 155.38 47.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -96.71 155.25 16.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.465 -179.978 . . . . . . . . 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 -0.322 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -96.26 89.2 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -128.35 -60.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.03 96.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.546 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -87.17 132.16 33.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.373 . . . . 0.0 110.835 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 m -152.07 178.1 9.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.4 150.2 6.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.7 t -100.05 -29.54 12.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.823 0.344 . . . . 0.0 111.14 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 164.83 -41.99 0.3 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 63.42 49.07 3.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -99.77 144.09 27.69 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.568 0.699 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -29.1 24.25 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.233 . . . . 0.0 112.346 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -88.34 95.23 10.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -115.32 136.12 53.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -73.49 158.05 35.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.06 -16.55 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.572 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.0 mm-40 -80.15 -42.17 23.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.2 p -117.03 -43.57 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.11 5.58 17.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.507 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -79.09 135.97 37.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.338 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.4 p -92.4 172.12 8.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -149.85 149.81 31.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.2 m -63.74 -48.2 77.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.0 pt -118.79 -179.42 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' LEU . 12.9 t -79.4 -56.17 4.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' SER . 3.4 m -37.42 -46.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -60.89 -44.17 97.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.782 HD11 HE21 ' A' ' 32' ' ' GLN . 26.7 tp -65.83 -51.2 60.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.01 -52.54 64.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.415 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 5.0 m -64.49 -10.47 25.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -92.11 -55.89 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.782 HE21 HD11 ' A' ' 28' ' ' LEU . 54.5 mt-30 -51.07 -18.72 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 34' ' ' ILE . 4.9 ppt_? -61.52 -38.29 86.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.466 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 6.6 pt -61.98 -26.83 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 32.9 m-70 -69.65 -25.18 63.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.1 p -99.18 50.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 169.21 52.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.497 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -124.01 -12.88 7.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.916 0.388 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -103.03 144.2 28.15 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.555 0.693 . . . . 0.0 110.947 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -35.21 12.99 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.725 2.283 . . . . 0.0 112.325 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.1 t 66.0 37.57 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.823 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.6 146.2 16.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -176.5 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.349 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.3 t -93.96 83.72 4.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.811 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 m -163.23 162.28 25.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.832 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.444 -179.937 . . . . . . . . 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 -0.337 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -123.17 106.7 10.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 t -165.86 142.05 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.97 -112.99 0.58 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -117.28 136.09 53.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -143.51 106.75 4.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.17 128.04 2.07 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.51 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 t -127.77 -28.52 2.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.822 0.344 . . . . 0.0 111.12 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.1 99.31 0.25 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.515 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -115.04 78.3 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.367 . . . . 0.0 110.903 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -125.49 155.57 71.74 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.548 0.689 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -8.89 24.75 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 25' ' ' SER . 84.9 m-85 -134.53 109.98 9.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -131.21 142.44 50.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.1 t -83.35 123.51 29.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.34 40.04 1.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -127.02 -54.67 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.8 p -107.48 -47.75 3.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.54 56.51 0.16 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.497 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -135.21 121.96 20.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.2 m -90.91 163.49 14.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -146.01 146.68 31.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.6 m -71.81 -45.18 62.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 pt -115.26 151.7 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 16.2 t -56.22 -60.1 3.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 25' ' ' SER . 71.8 m -35.75 -52.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.816 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -48.32 -46.3 36.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.445 HD21 ' NE2' ' A' ' 32' ' ' GLN . 21.5 tp -62.55 -47.58 83.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.84 -53.87 35.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.076 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.416 ' C ' ' HG3' ' A' ' 33' ' ' ARG . 20.2 m -51.34 -22.21 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.179 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.473 ' O ' ' N ' ' A' ' 33' ' ' ARG . 21.7 t60 -91.33 -56.96 2.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.802 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.445 ' NE2' HD21 ' A' ' 28' ' ' LEU . 83.4 mt-30 -40.03 -25.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.89 ' O ' HG22 ' A' ' 36' ' ' THR . 8.2 mtm180 -52.17 -45.49 65.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.1 pt -68.39 -21.62 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 36' ' ' THR . 15.4 m-70 -77.78 -37.91 47.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.89 HG22 ' O ' ' A' ' 33' ' ' ARG . 14.8 t -33.86 128.15 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . 173.22 83.7 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.526 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 37' ' ' GLY . 14.4 mt-10 -36.84 136.84 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.446 ' CD ' ' HD2' ' A' ' 40' ' ' PRO . 15.4 tptm -147.83 137.31 12.06 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.613 0.721 . . . . 0.0 110.846 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.446 ' HD2' ' CD ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.72 98.03 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.728 2.285 . . . . 0.0 112.39 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.3 m -54.33 -41.41 69.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 139.16 -158.2 25.21 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -171.69 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.303 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.9 m 53.7 45.79 27.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 55.6 m -106.71 94.35 5.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.469 -179.971 . . . . . . . . 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 -0.357 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.7 p 38.7 42.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m -75.29 -46.48 33.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.94 168.02 0.31 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.6 p -169.01 168.27 10.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.87 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -110.83 112.54 24.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.94 120.95 5.17 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.455 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -134.73 43.64 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 111.132 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.22 104.64 0.71 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -130.08 46.38 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.936 0.398 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -101.75 154.46 37.29 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.579 0.704 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -20.95 34.17 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.697 2.264 . . . . 0.0 112.324 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.5 ' CE2' ' HA ' ' A' ' 24' ' ' ILE . 73.8 m-85 -121.09 123.97 43.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -141.62 119.69 12.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.5 t -68.67 147.23 52.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -105.38 -27.12 11.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.539 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 33.4 mm-40 -54.43 -57.17 12.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.5 p -106.66 -46.11 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.77 33.27 0.94 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.505 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 22.4 mtpt -95.25 175.28 6.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.81 0.338 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.401 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 88.4 p -135.48 166.7 22.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.418 ' CZ ' ' CB ' ' A' ' 31' ' ' HIS . 86.4 m-85 -152.45 171.18 18.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.8 t -83.6 -42.47 16.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.856 HD12 ' H ' ' A' ' 27' ' ' GLN . 1.9 pp -141.12 170.87 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 28' ' ' LEU . 13.1 p -59.06 -63.97 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.7 ' HB2' HD13 ' A' ' 24' ' ' ILE . 1.5 m -32.94 -36.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.856 ' H ' HD12 ' A' ' 24' ' ' ILE . 32.8 mt-30 -80.46 -46.52 15.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 25' ' ' SER . 19.6 tp -59.01 -42.31 89.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.76 -52.48 65.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.4 m -49.25 -19.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.505 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 42.5 t60 -91.98 -65.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -42.81 -24.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 31' ' ' HIS . 23.4 ptt85 -46.82 -34.99 5.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 35' ' ' HIS . 16.4 pt -73.29 -28.57 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.539 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 56.3 m-70 -77.18 -30.55 54.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.9 p -95.65 -19.09 20.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.16 -89.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -99.11 89.45 4.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.899 0.38 . . . . 0.0 110.896 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.468 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 21.9 tttt -168.41 139.72 2.2 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.561 0.696 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.2 Cg_endo -69.77 117.81 5.31 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.728 2.285 . . . . 0.0 112.316 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.1 p -44.4 148.19 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.58 75.18 0.58 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -40.54 5.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.724 2.283 . . . . 0.0 112.322 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.2 p -151.2 149.66 29.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 65.0 m -49.93 -58.64 5.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.827 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.479 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.5 m -66.56 173.16 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.873 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.3 p -81.08 -37.62 28.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.29 -77.52 0.36 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 t -97.02 97.0 8.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.841 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.6 p -79.04 117.82 20.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.5 128.95 9.2 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.433 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.435 HG23 ' N ' ' A' ' 9' ' ' GLY . 9.9 t -101.22 -41.34 6.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 111.101 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.435 ' N ' HG23 ' A' ' 8' ' ' THR . . . -50.34 160.77 1.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -132.56 153.97 50.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.937 0.399 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -137.01 146.34 54.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -7.31 20.73 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.732 2.288 . . . . 0.0 112.3 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -128.54 94.96 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -143.88 123.82 13.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.1 t -66.04 134.72 53.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.13 -34.83 15.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -50.08 -60.38 3.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -95.25 -47.05 6.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.25 37.78 1.31 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.535 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.507 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 13.7 tptm -101.95 127.84 48.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.76 0.314 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.6 p -101.04 148.38 25.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.813 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.507 ' CZ ' ' HG2' ' A' ' 20' ' ' LYS . 96.5 m-85 -136.36 162.66 32.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.935 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 t -85.17 -42.77 14.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.9 pt -116.0 138.65 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.169 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 26' ' ' SER . 3.4 t -44.18 -56.9 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' SER . 47.6 t -34.04 -59.18 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.847 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.498 ' HB3' ' CD1' ' A' ' 22' ' ' PHE . 12.2 mm100 -44.66 -47.67 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' SER . 25.1 tp -58.41 -53.09 62.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.31 -47.1 69.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.0 m -64.6 -13.12 51.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.136 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.417 ' CD2' ' N ' ' A' ' 32' ' ' GLN . 2.9 t60 -92.92 -57.22 2.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.417 ' N ' ' CD2' ' A' ' 31' ' ' HIS . 55.6 mt-30 -45.67 -24.92 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.7 ptt85 -48.75 -33.37 10.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.467 HG13 ' N ' ' A' ' 35' ' ' HIS . 15.0 pt -71.53 -31.25 42.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.467 ' N ' HG13 ' A' ' 34' ' ' ILE . 50.8 m-70 -69.0 -36.87 78.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.0 t -83.16 144.6 29.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 101.07 86.69 1.94 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -108.85 178.89 4.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -58.11 154.02 32.33 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.61 0.719 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 2.32 3.66 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.633 2.222 . . . . 0.0 112.362 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.9 t -94.55 148.98 21.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.18 -88.1 1.94 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 158.57 56.4 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.302 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -110.04 96.71 6.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.9 p -125.1 -24.39 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.836 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.486 -179.97 . . . . . . . . 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 1.452 -0.276 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -108.1 126.43 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -143.04 170.83 14.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 124.73 -54.52 0.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.463 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 4' ' ' GLY . 66.6 m -37.02 -59.18 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.863 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.2 p -54.94 131.39 44.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.51 78.91 1.42 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.7 m -115.17 85.2 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 111.15 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.07 124.24 2.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.537 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -88.18 53.73 2.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.379 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -76.22 143.9 74.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.525 0.679 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -26.27 27.91 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.404 ' CE1' ' HB2' ' A' ' 25' ' ' SER . 71.3 m-85 -98.71 120.99 40.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -142.3 115.47 8.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -52.66 134.15 36.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.22 31.02 4.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.051 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -119.54 -49.79 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.8 p -112.55 -48.54 3.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.06 51.97 0.13 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.29 174.32 5.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.846 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.5 p -139.37 153.43 47.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -147.45 160.17 42.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.3 t -83.51 -42.19 17.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.506 HD12 ' OG ' ' A' ' 26' ' ' SER . 24.2 pt -120.13 144.45 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.148 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.404 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 24.1 t -55.65 -48.4 75.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.506 ' OG ' HD12 ' A' ' 24' ' ' ILE . 20.7 p -41.33 -41.88 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.808 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -68.54 -51.77 39.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.1 tp -51.94 -54.85 24.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -45.1 -51.39 10.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.494 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 96.8 m -55.21 -39.83 70.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.573 ' O ' HG23 ' A' ' 34' ' ' ILE . 1.5 t60 -68.97 -40.46 78.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -52.71 -16.52 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 30' ' ' THR . 0.3 OUTLIER -63.24 -31.96 73.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 31' ' ' HIS . 10.3 pt -59.29 -20.29 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.176 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -96.46 -31.45 12.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 36' ' ' THR . 6.0 t -123.28 104.39 9.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.098 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.04 -33.82 2.85 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -55.38 -14.07 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.963 0.411 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.4 pttt -170.87 141.85 1.5 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -14.27 35.77 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.3 t -52.14 -54.7 27.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.12 -101.59 0.31 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 144.45 53.84 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.33 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.4 p -135.31 135.58 40.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -96.25 88.55 4.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.496 -179.999 . . . . . . . . 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 -0.32 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 m -148.7 160.89 42.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.2 p -108.1 135.06 50.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.84 -127.13 1.62 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -86.19 -54.04 4.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.899 0.381 . . . . 0.0 110.886 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m 58.47 41.28 22.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.1 161.61 34.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.531 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.8 t -104.46 39.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 111.145 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.86 117.55 5.36 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.491 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -123.75 -26.39 4.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.952 0.406 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 22' ' ' PHE . 17.6 mtmt -51.8 138.27 33.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.569 0.7 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -22.62 31.49 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.625 2.217 . . . . 0.0 112.358 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.63 ' HB3' HD22 ' A' ' 28' ' ' LEU . 78.9 m-85 -115.25 110.76 19.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -144.14 144.41 31.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.7 t -85.14 137.34 33.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -107.8 35.22 3.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -123.97 -61.17 1.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.2 p -92.14 -50.85 5.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.27 51.61 0.21 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.544 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -133.54 124.63 27.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.8 p -100.2 163.49 12.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.433 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 98.0 m-85 -137.05 174.81 10.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 t -92.76 -47.81 6.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.0 pt -112.18 179.38 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 36.7 t -78.85 -58.56 3.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.825 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.8 t -37.74 -39.58 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -67.95 -46.9 70.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.63 HD22 ' HB3' ' A' ' 13' ' ' PHE . 40.1 tp -61.7 -52.98 62.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.74 -55.97 14.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.465 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 9.9 m -51.96 -20.14 2.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.728 ' O ' HG23 ' A' ' 34' ' ' ILE . 2.9 t60 -92.1 -48.28 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -50.41 -29.16 9.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 30' ' ' THR . 3.4 ppt_? -53.43 -30.61 41.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.728 HG23 ' O ' ' A' ' 31' ' ' HIS . 6.1 pt -56.34 -46.44 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.561 ' NE2' HD11 ' A' ' 34' ' ' ILE . 74.2 m-70 -77.47 -27.76 52.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.22 97.86 8.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.15 -81.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -103.19 77.23 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.934 0.397 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -173.89 142.55 0.9 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 129.17 17.19 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.354 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.9 p -100.15 115.74 30.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -149.42 84.82 0.16 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.44 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.5 Cg_endo -69.8 179.98 3.34 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.646 2.231 . . . . 0.0 112.321 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 43' ' ' PRO . 27.0 t -34.54 -56.29 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.3 m -100.35 133.92 44.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.487 -179.995 . . . . . . . . 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 -0.338 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 p -76.43 153.0 36.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 110.875 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -113.92 146.24 40.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.59 -160.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -96.35 -45.58 6.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 0.0 110.859 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -71.58 128.6 36.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.812 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.88 -71.39 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.8 p 42.67 40.15 1.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.77 0.319 . . . . 0.0 111.136 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.19 155.88 12.22 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -152.38 128.55 10.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.951 0.405 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -107.24 84.56 1.75 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.569 0.699 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -20.06 35.19 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.715 2.277 . . . . 0.0 112.341 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.471 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 61.0 m-85 -101.11 89.84 3.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -124.28 111.57 15.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.1 t -53.92 121.96 9.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.55 38.5 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -124.66 -55.06 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.1 p -103.81 -47.21 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.26 53.32 0.14 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.505 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -128.15 173.54 10.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.827 0.346 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -139.98 169.19 18.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -151.16 164.18 37.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.6 m -80.7 -50.44 9.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.5 pt -119.32 163.68 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.471 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 70.2 p -59.74 -55.92 28.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' SER . 3.3 t -35.37 -50.37 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -57.37 -47.44 81.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 25' ' ' SER . 41.0 tp -57.46 -48.54 78.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.64 -43.99 76.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 m -63.6 -14.76 54.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -91.98 -50.67 5.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -49.13 -18.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.49 ' CD ' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -54.96 -36.77 65.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.49 HG23 ' CD ' ' A' ' 33' ' ' ARG . 6.1 pt -82.35 -9.83 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -96.59 -35.66 10.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 36' ' ' THR . 9.8 t -76.72 65.67 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.25 -48.97 0.11 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -100.74 68.21 1.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.902 0.382 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.43 136.17 37.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.9 Cg_endo -69.78 146.82 61.25 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.655 2.237 . . . . 0.0 112.356 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 40' ' ' PRO . 63.2 p -35.46 105.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -157.64 -158.1 8.78 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 168.89 20.17 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.742 2.295 . . . . 0.0 112.371 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.2 p -78.56 141.4 38.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 46' ' ' GLY . 14.4 m -118.09 158.38 25.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.841 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.528 -179.987 . . . . . . . . 1 1 . 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 -0.329 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 t -152.91 138.47 17.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.367 . . . . 0.0 110.842 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -152.6 149.39 28.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.33 96.12 0.11 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -156.26 140.3 16.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.853 0.359 . . . . 0.0 110.86 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -170.24 174.42 5.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.83 66.93 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.6 p -39.32 -50.38 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 111.081 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.17 146.82 41.74 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -88.84 140.66 29.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.897 0.379 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -124.8 82.69 60.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.537 0.685 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -5.67 16.77 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.369 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -137.29 116.7 12.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -133.57 130.25 38.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.1 t -72.33 123.58 23.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.43 39.08 1.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.583 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 13.6 mm-40 -125.72 -57.79 1.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -100.44 -46.64 5.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.22 41.74 0.27 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -113.75 172.04 7.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.764 0.316 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.7 m -141.91 164.06 31.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -149.24 -176.41 5.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.0 t -110.91 -46.95 3.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.3 pt -109.74 170.69 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 26' ' ' SER . 14.0 m -71.34 -57.79 4.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 25' ' ' SER . 3.9 m -35.48 -51.32 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -52.1 -59.88 3.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.405 ' HG ' ' NE2' ' A' ' 32' ' ' GLN . 59.2 tp -55.33 -47.34 75.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.55 -46.93 19.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.083 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.505 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 53.1 m -59.12 -61.43 2.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.18 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.408 ' CE1' HD11 ' A' ' 34' ' ' ILE . 77.3 t60 -49.16 -47.35 45.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.405 ' NE2' ' HG ' ' A' ' 28' ' ' LEU . 20.8 mt-30 -46.58 -21.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -53.28 -39.99 64.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.485 HG23 ' CD ' ' A' ' 33' ' ' ARG . 6.1 pt -77.86 -7.08 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.583 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 67.9 m-70 -104.72 -28.53 11.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.9 p -91.59 163.16 14.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.57 -150.21 18.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -71.18 166.51 21.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.6 tptt -119.7 133.66 23.86 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.575 0.702 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 170.02 17.6 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 0.0 112.321 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.8 t -42.37 142.27 0.82 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.72 -158.21 12.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.455 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -173.9 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 2.231 . . . . 0.0 112.362 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.7 m -156.6 154.27 29.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.8 m -90.93 161.1 15.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.821 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.485 -179.942 . . . . . . . . 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 -0.336 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -74.85 81.23 2.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.87 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.7 p -107.94 137.06 46.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.69 -133.0 2.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.444 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -101.15 86.85 3.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.0 p -120.2 150.67 40.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.825 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.52 175.27 25.5 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.51 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.7 m -90.07 -57.6 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.788 0.328 . . . . 0.0 111.139 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.05 87.2 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.52 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -87.64 103.04 15.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.87 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -134.92 130.81 19.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.593 0.711 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -31.03 21.23 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.691 2.261 . . . . 0.0 112.333 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 94.1 m-85 -127.01 95.96 4.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' CB ' ' HA ' ' A' ' 21' ' ' SER . 5.5 pt-20 -144.06 147.38 33.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -75.54 123.18 25.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.58 33.67 2.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -122.18 -58.99 1.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.6 p -87.08 -54.92 4.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.51 44.4 0.11 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -125.17 158.97 32.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.774 0.321 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.401 ' HA ' ' CB ' ' A' ' 14' ' ' GLU . 11.9 p -131.32 160.35 35.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -138.77 -178.3 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -99.64 -47.67 5.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.5 pt -115.73 168.52 7.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.185 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.559 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 88.4 p -62.86 -60.83 2.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 25' ' ' SER . 5.5 t -34.9 -56.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -50.38 -48.87 55.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.21 -58.27 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.99 -53.48 16.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.478 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 73.0 m -52.94 -21.68 4.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.706 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.9 t60 -92.17 -48.1 6.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.823 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -50.84 -25.49 4.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.614 ' CZ ' HG22 ' A' ' 34' ' ' ILE . 5.6 ppt_? -56.56 -29.17 61.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.706 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.9 pt -64.03 -32.95 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.137 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -75.99 -33.89 59.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.58 111.91 24.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.3 38.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.7 86.03 7.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.943 0.401 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -109.51 76.11 0.83 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.59 0.709 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -39.51 6.33 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.689 2.26 . . . . 0.0 112.364 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -169.07 152.08 4.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.89 -76.25 1.3 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 165.51 30.73 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.713 2.276 . . . . 0.0 112.343 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.0 m -69.08 90.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.7 t -95.78 -60.46 1.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.81 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.484 -179.947 . . . . . . . . 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 1.452 -0.274 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -92.72 111.83 23.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.373 . . . . 0.0 110.916 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 p -126.15 162.38 25.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.31 134.22 7.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.449 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -119.21 42.62 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.377 . . . . 0.0 110.88 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -91.1 96.61 10.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.03 155.61 18.67 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.406 ' O ' HG23 ' A' ' 8' ' ' THR . 15.4 t -97.04 39.71 1.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.767 0.318 . . . . 0.0 111.107 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.16 157.45 24.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -124.49 143.68 50.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.936 0.398 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' NZ ' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -124.18 144.01 44.29 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.578 0.704 . . . . 0.0 110.935 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -21.69 33.27 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.704 2.27 . . . . 0.0 112.353 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 24' ' ' ILE . 70.5 m-85 -121.33 109.08 14.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -136.82 116.48 12.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.3 t -57.03 130.32 45.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.35 30.38 4.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -120.84 -55.69 1.98 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.0 p -102.11 -45.53 5.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.37 49.95 0.29 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.488 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -120.6 153.73 36.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.848 0.356 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 74.0 p -121.23 144.64 48.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -122.67 -178.27 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.1 m -99.88 -36.26 9.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.884 HD12 ' H ' ' A' ' 27' ' ' GLN . 1.9 pp -143.21 151.55 17.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 26' ' ' SER . 2.5 p -46.6 -58.06 4.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.472 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . 0.7 OUTLIER -33.0 -44.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.846 -179.808 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.884 ' H ' HD12 ' A' ' 24' ' ' ILE . 8.2 mt-30 -75.55 -48.67 21.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 25' ' ' SER . 25.7 tp -51.9 -44.63 63.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.77 -52.22 66.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.073 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.1 m -47.27 -30.97 3.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -77.06 -50.05 13.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -48.57 -19.01 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -59.3 -51.96 67.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.3 pt -63.26 -13.08 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -89.09 -37.73 14.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.812 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.1 p -81.32 82.23 7.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.162 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.35 -117.2 0.58 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.461 ' C ' ' CD ' ' A' ' 38' ' ' GLU . 1.7 tm-20 -101.55 120.78 40.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.877 0.37 . . . . 0.0 110.904 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 pttp -145.45 148.18 36.28 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.585 0.707 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 -174.53 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.683 2.256 . . . . 0.0 112.33 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.8 t -155.15 141.01 18.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -159.29 -72.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.517 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 149.26 66.62 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.6 t -60.94 169.03 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.7 p 41.69 42.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.494 179.99 . . . . . . . . 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 1.452 -0.292 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -55.07 -62.95 1.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 m -56.32 176.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.79 -62.13 0.14 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.506 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.4 p -130.43 119.88 23.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -122.47 150.76 42.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.83 -160.26 33.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.9 p -111.03 14.26 21.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.803 0.335 . . . . 0.0 111.099 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.71 86.11 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 11' ' ' LYS . 80.6 mm-40 -53.05 121.43 7.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.962 0.41 . . . . 0.0 110.864 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -33.6 96.84 0.1 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.582 0.706 . . . . 0.0 110.906 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.417 ' N ' ' O ' ' A' ' 10' ' ' GLU . 53.5 Cg_endo -69.85 -2.13 9.72 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.718 2.278 . . . . 0.0 112.277 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.496 ' CE1' ' HB3' ' A' ' 25' ' ' SER . 32.8 m-85 -139.36 113.3 8.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.408 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 13.4 mp0 -124.31 133.46 53.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.4 t -71.06 120.04 16.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.17 38.71 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -128.26 -60.35 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.0 p -96.65 -47.24 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.49 52.08 0.24 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -128.56 132.98 48.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.417 ' HB2' ' CB ' ' A' ' 11' ' ' LYS . 53.4 p -94.8 157.66 15.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -140.3 145.05 36.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.9 t -74.33 -38.19 63.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 pt -122.04 154.94 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.496 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 77.8 p -62.16 -50.04 73.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 5.0 t -39.74 -58.09 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -45.19 -54.61 6.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.8 tp -49.87 -36.26 26.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 26' ' ' SER . . . -65.9 -50.67 63.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 30' ' ' THR . 87.5 m -66.6 -10.98 51.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -92.18 -59.84 2.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -46.91 -20.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -54.13 -14.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.0 pt -91.02 -23.33 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -81.73 16.25 1.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.0 p -99.52 30.16 3.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.45 173.32 7.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -112.19 -10.1 13.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -62.75 142.34 97.09 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.561 0.695 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 154.84 67.14 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.366 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.4 t -116.78 38.61 3.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.12 -86.84 1.82 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 126.09 12.91 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.244 . . . . 0.0 112.353 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.4 m -45.37 103.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 90.7 p -117.66 42.28 2.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.47 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_