data_2epu_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 2epu _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 ' 103' ' ' LYS . . . . . 0.498 ' CE ' ' O ' ' A' ' 114' ' ' PHE . 12.7 mtpp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.618 0.723 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -7.65 21.61 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.679 2.253 . . . . 0.0 112.372 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.404 ' CE2' ' HA ' ' A' ' 116' ' ' ALA . 26.2 m-85 -151.27 107.28 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -123.52 146.57 47.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 108' ' ' THR . 12.8 t -91.91 72.7 5.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 107' ' ' CYS . 5.5 t -34.25 -37.13 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . 0.428 ' N ' HG21 ' A' ' 108' ' ' THR . 75.1 m-70 -45.23 -58.0 3.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 27.3 p -114.17 -42.83 3.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 127.87 14.98 2.43 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.0 tptt -74.62 116.7 15.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.32 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 85.0 p -91.92 159.39 15.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.498 ' O ' ' CE ' ' A' ' 103' ' ' LYS . 84.7 m-85 -148.56 170.4 18.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -90.45 -43.7 10.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.404 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -117.52 156.64 27.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.403 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 46.3 tptt -54.83 -58.47 7.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -42.46 -62.75 2.07 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.474 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -38.33 -51.9 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.423 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 17.7 tp -65.15 -51.68 59.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.5 t -44.99 -47.13 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -61.64 -34.82 76.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.554 ' CE1' HD13 ' A' ' 126' ' ' ILE . 22.9 t60 -68.74 -47.75 65.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -51.81 -31.68 28.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -53.62 -21.03 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.554 HD13 ' CE1' ' A' ' 123' ' ' HIS . 3.6 pt -73.0 -30.44 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 128' ' ' THR . 94.9 m-70 -78.37 -52.51 8.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 127' ' ' HIS . 58.4 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp . . . . . 0 C--O 1.23 0.062 0 CA-C-O 121.577 0.703 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -8.32 23.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.632 2.221 . . . . 0.0 112.336 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.537 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 29.0 m-85 -149.88 105.22 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -122.28 140.01 53.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 108' ' ' THR . 33.5 t -88.12 75.39 8.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 107' ' ' CYS . 9.1 t -37.07 -38.18 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -42.33 -59.76 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.809 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 27.9 p -114.09 -41.73 3.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.54 11.78 2.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -72.22 116.09 12.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.5 p -93.0 163.0 13.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.811 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.405 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 86.3 m-85 -151.59 172.32 16.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -91.65 -42.46 10.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.466 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -118.86 157.67 27.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.043 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 18.9 tptp -55.53 -60.53 3.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 119' ' ' ASN . . . -40.59 -63.96 1.3 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.494 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 118' ' ' GLY . 12.5 m120 -37.9 -50.27 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.917 0.389 . . . . 0.0 110.914 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.405 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 14.4 tp -66.42 -49.51 66.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 88.7 t -46.39 -48.53 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -60.23 -32.78 71.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.557 ' CE1' HD13 ' A' ' 126' ' ' ILE . 23.7 t60 -71.07 -47.39 58.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -51.82 -31.68 28.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -53.59 -21.19 6.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.557 HD13 ' CE1' ' A' ' 123' ' ' HIS . 3.5 pt -73.37 -29.26 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.45 ' O ' ' C ' ' A' ' 128' ' ' THR . 94.8 m-70 -81.73 -50.45 9.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 127' ' ' HIS . 57.9 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.581 0.705 . . . . 0.0 110.874 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.409 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.3 Cg_endo -69.74 -9.06 25.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 27.4 m-85 -148.8 110.91 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -123.31 144.48 49.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 108' ' ' THR . 22.8 t -91.14 72.77 6.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 107' ' ' CYS . 9.8 t -34.24 -37.59 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.176 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . 0.403 ' N ' ' O ' ' A' ' 107' ' ' CYS . 98.9 m-70 -43.11 -59.05 2.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.5 p -113.61 -43.69 3.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 131.24 6.89 3.34 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -67.68 116.19 8.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.0 p -92.89 156.28 17.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 89.0 m-85 -145.47 165.05 29.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 9.0 tpt85 -88.25 -43.22 11.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -113.54 154.13 27.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -56.77 -54.55 44.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -47.15 -60.46 5.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -39.92 -48.88 2.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.439 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 14.5 tp -67.95 -49.81 59.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 90.5 t -46.04 -46.31 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -63.52 -33.4 75.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.562 ' CE1' HD12 ' A' ' 126' ' ' ILE . 24.5 t60 -67.69 -47.33 69.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.821 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -51.27 -32.0 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -52.85 -24.34 8.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.562 HD12 ' CE1' ' A' ' 123' ' ' HIS . 3.2 pt -70.64 -34.94 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.069 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 128' ' ' THR . 87.2 m-70 -71.38 -54.03 12.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 127' ' ' HIS . 58.5 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? . . . . . 0 C--O 1.23 0.057 0 CA-C-O 121.622 0.725 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.506 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.9 Cg_endo -69.74 -6.72 19.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 23.2 m-85 -147.79 105.74 3.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -121.33 139.43 53.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 108' ' ' THR . 18.7 t -85.96 76.33 9.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 107' ' ' CYS . 9.7 t -34.77 -40.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -42.07 -58.58 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.794 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.8 p -114.65 -42.97 3.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 126.97 16.05 2.47 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -74.34 115.9 14.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.794 0.331 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 88.8 p -90.54 161.54 15.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -151.17 167.39 27.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.8 mtm180 -83.94 -44.21 14.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.52 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -120.11 160.07 23.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -55.75 -61.02 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 119' ' ' ASN . . . -39.47 -68.16 0.54 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 118' ' ' GLY . 4.1 m120 -34.49 -46.35 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.362 . . . . 0.0 110.883 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 18.7 tp -69.4 -48.89 59.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.3 t -46.87 -46.54 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.4 m -62.12 -33.43 74.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.562 ' CE1' HD13 ' A' ' 126' ' ' ILE . 19.8 t60 -68.49 -47.81 66.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -50.5 -33.76 22.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -50.97 -25.44 4.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.562 HD13 ' CE1' ' A' ' 123' ' ' HIS . 3.5 pt -68.68 -31.85 52.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 128' ' ' THR . 92.2 m-70 -77.18 -50.39 13.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 127' ' ' HIS . 60.7 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.404 ' HE2' ' C ' ' A' ' 114' ' ' PHE . 10.8 mtpp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.547 0.689 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.433 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.5 Cg_endo -69.81 -6.75 19.36 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.647 2.232 . . . . 0.0 112.345 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 20.7 m-85 -150.76 106.84 3.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -123.93 144.52 49.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 109' ' ' HIS . 8.7 t -88.38 72.79 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.2 t -36.39 -29.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 107' ' ' CYS . 60.6 m-70 -52.21 -57.1 10.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.825 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.9 p -115.12 -42.57 3.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.99 13.69 2.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -74.46 116.58 15.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 97.1 p -91.85 157.56 16.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.498 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 88.0 m-85 -147.04 169.16 19.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -88.04 -46.65 9.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -116.04 151.47 35.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 20.5 tptt -50.48 -60.03 3.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -40.55 -62.11 1.69 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -40.04 -53.04 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.381 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.498 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 15.6 tp -63.21 -48.38 78.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 97.4 t -47.3 -49.88 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.6 m -58.94 -35.34 72.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.553 ' CE1' HD13 ' A' ' 126' ' ' ILE . 18.2 t60 -66.68 -48.97 67.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -50.64 -35.06 28.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 125' ' ' ARG . 12.1 mtp-105 -50.17 -21.25 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.553 HD13 ' CE1' ' A' ' 123' ' ' HIS . 4.1 pt -71.75 -34.22 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -74.1 -65.06 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 -179.909 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.458 ' HD3' ' CB ' ' A' ' 113' ' ' SER . 2.6 mptp? . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.59 0.709 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -12.88 33.85 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.723 2.282 . . . . 0.0 112.309 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.494 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 31.2 m-85 -146.03 107.25 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -121.97 139.68 53.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 109' ' ' HIS . 8.9 t -84.12 75.57 10.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.8 t -38.22 -28.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.159 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 107' ' ' CYS . 83.9 m-70 -54.39 -49.65 69.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.8 p -122.62 -42.04 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.33 9.22 3.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -69.87 116.48 10.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.35 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.458 ' CB ' ' HD3' ' A' ' 103' ' ' LYS . 87.5 p -91.48 162.47 14.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 113' ' ' SER . 75.5 m-85 -151.24 175.84 11.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -93.98 -44.13 8.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.486 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -118.43 159.8 22.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.494 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 21.3 tptp -56.77 -58.44 8.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -43.15 -61.93 2.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -38.37 -51.12 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.424 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 13.8 tp -66.43 -51.06 60.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 99.0 t -44.71 -47.11 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -61.67 -33.76 74.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.563 ' CE1' HD12 ' A' ' 126' ' ' ILE . 18.3 t60 -69.88 -47.72 61.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -50.97 -32.51 21.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -52.3 -25.12 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.563 HD12 ' CE1' ' A' ' 123' ' ' HIS . 3.9 pt -68.26 -32.5 56.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 128' ' ' THR . 93.1 m-70 -75.09 -53.18 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 127' ' ' HIS . 61.3 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.46 ' CE ' ' O ' ' A' ' 114' ' ' PHE . 14.3 mtpp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.608 0.718 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.48 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.3 Cg_endo -69.78 -9.31 25.78 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 20.9 m-85 -147.28 105.68 3.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -121.23 150.86 40.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 108' ' ' THR . 22.5 t -94.39 73.97 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 107' ' ' CYS . 4.6 t -35.43 -37.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -46.13 -55.85 6.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.5 p -116.52 -44.84 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 132.28 7.81 2.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -65.67 119.13 10.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.786 0.327 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.3 p -95.91 160.47 14.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.85 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.46 ' O ' ' CE ' ' A' ' 103' ' ' LYS . 84.4 m-85 -150.81 170.27 19.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 -88.72 -44.84 10.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.504 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -117.24 156.78 27.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 27.9 tttt -53.88 -66.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -35.83 -52.51 1.15 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -47.13 -47.74 23.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.853 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.0 tp -71.98 -48.55 44.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.3 t -47.71 -44.23 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.4 m -66.65 -32.0 73.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.562 ' CE1' HD11 ' A' ' 126' ' ' ILE . 27.5 t60 -70.1 -47.12 63.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -51.66 -31.31 25.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 56.1 mtt-85 -53.66 -22.24 8.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.562 HD11 ' CE1' ' A' ' 123' ' ' HIS . 3.3 pt -73.5 -28.31 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 128' ' ' THR . 89.4 m-70 -79.36 -52.01 8.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 127' ' ' HIS . 60.0 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.6 mttm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.577 0.703 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.418 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.8 Cg_endo -69.76 -5.8 17.07 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.689 2.26 . . . . 0.0 112.339 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 44.9 m-85 -147.7 106.48 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -122.97 141.1 52.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 108' ' ' THR . 17.3 t -88.94 74.95 8.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 109' ' ' HIS . 6.6 t -35.47 -39.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . 0.436 ' N ' HG23 ' A' ' 108' ' ' THR . 98.7 m-70 -41.91 -59.25 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.3 p -114.34 -43.69 3.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 130.04 12.62 2.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -72.66 116.32 12.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.766 0.317 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 78.7 p -93.02 158.95 15.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -148.75 166.09 29.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -83.05 -47.24 11.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.434 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -116.73 157.04 26.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 21.0 tttm -53.81 -66.53 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -34.5 -62.99 0.49 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.486 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -39.99 -49.44 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 19.3 tp -68.27 -50.41 53.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 68.1 t -45.13 -45.26 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.3 m -63.84 -34.7 78.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.56 ' CE1' HD11 ' A' ' 126' ' ' ILE . 17.9 t60 -65.89 -48.07 72.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -50.73 -34.68 27.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.423 ' NH1' ' HB3' ' A' ' 125' ' ' ARG . 9.0 mtp-105 -50.44 -21.27 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.56 HD11 ' CE1' ' A' ' 123' ' ' HIS . 3.9 pt -72.52 -32.47 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 128' ' ' THR . 95.0 m-70 -76.75 -51.45 11.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 127' ' ' HIS . 72.4 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.8 mptt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 121.574 0.702 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -11.48 30.9 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.491 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 41.0 m-85 -146.22 105.03 3.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -122.77 139.11 54.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 108' ' ' THR . 20.6 t -87.0 73.98 9.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 107' ' ' CYS . 7.7 t -34.09 -39.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -41.69 -61.18 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.1 p -111.58 -43.82 3.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.4 17.38 1.96 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.4 tptt -76.3 116.66 17.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 53.3 p -93.2 158.65 15.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.437 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 88.9 m-85 -148.34 169.34 20.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -85.66 -45.5 11.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.456 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -116.51 169.35 9.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.088 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.491 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 18.0 tttt -65.12 -66.29 0.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -35.16 -61.35 0.66 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.451 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -39.72 -51.58 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.357 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.437 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 13.6 tp -67.65 -48.99 65.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 92.7 t -46.81 -46.47 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.4 m -63.98 -34.26 77.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.571 ' CE1' HD13 ' A' ' 126' ' ' ILE . 15.7 t60 -65.44 -47.43 76.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.806 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -50.44 -34.86 26.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.968 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 40.4 mtp85 -50.07 -22.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.571 HD13 ' CE1' ' A' ' 123' ' ' HIS . 4.4 pt -70.55 -34.02 55.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 128' ' ' THR . 94.4 m-70 -75.64 -50.17 16.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 127' ' ' HIS . 71.7 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 mptt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.589 0.709 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -15.45 37.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.337 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' A' ' 116' ' ' ALA . 26.6 m-85 -144.73 105.85 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -123.31 140.87 52.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 108' ' ' THR . 15.0 t -87.04 72.65 10.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 107' ' ' CYS . 10.1 t -34.12 -38.32 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.152 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -42.55 -59.94 1.71 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.7 p -112.39 -43.97 3.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.07 17.93 1.76 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -78.03 115.66 17.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.319 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.0 p -89.93 162.85 15.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -151.81 174.68 13.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -91.76 -47.42 7.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.808 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.55 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -114.48 174.03 6.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.049 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.47 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 12.8 tptm -69.99 -52.38 24.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -48.25 -60.13 5.9 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -40.2 -50.82 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 16.0 tp -65.93 -51.46 58.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.6 t -45.34 -47.65 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.4 m -61.04 -32.75 72.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.563 ' CE1' HD13 ' A' ' 126' ' ' ILE . 18.4 t60 -70.88 -47.89 56.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -50.52 -35.1 27.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -50.07 -21.28 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.563 HD13 ' CE1' ' A' ' 123' ' ' HIS . 4.2 pt -72.43 -33.15 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 128' ' ' THR . 92.5 m-70 -73.94 -53.35 10.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 127' ' ' HIS . 72.2 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.592 0.71 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.42 ' O ' ' CD1' ' A' ' 105' ' ' PHE . 53.8 Cg_endo -69.72 -6.01 17.55 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.709 2.272 . . . . 0.0 112.324 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.445 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 27.4 m-85 -154.4 105.0 2.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -121.46 144.15 48.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 108' ' ' THR . 23.5 t -91.55 74.02 5.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 107' ' ' CYS . 10.1 t -35.7 -38.48 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.159 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -42.65 -60.22 1.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 28.2 p -112.86 -43.1 3.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.15 14.49 2.21 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -74.58 117.39 16.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.735 0.302 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.404 ' C ' ' CD1' ' A' ' 114' ' ' PHE . 85.3 p -94.47 161.51 14.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 113' ' ' SER . 80.0 m-85 -150.69 173.17 14.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 -93.47 -41.47 9.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -116.86 159.68 22.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.445 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 15.9 tptm -60.33 -54.65 43.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -46.68 -58.54 5.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -41.78 -50.83 4.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.6 tp -66.03 -48.4 71.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.6 t -47.35 -47.07 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -62.47 -33.01 73.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.169 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.56 ' CE1' HD11 ' A' ' 126' ' ' ILE . 21.2 t60 -69.68 -47.83 61.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -51.9 -31.74 29.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -53.76 -19.35 4.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.56 HD11 ' CE1' ' A' ' 123' ' ' HIS . 3.8 pt -74.5 -31.85 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -80.57 -45.16 17.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 80.6 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -179.929 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.412 ' HD3' ' C ' ' A' ' 114' ' ' PHE . 19.9 mttp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.528 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.9 Cg_endo -69.75 -4.83 14.81 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.737 2.291 . . . . 0.0 112.339 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 30.4 m-85 -145.21 106.96 4.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -125.45 141.64 51.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 108' ' ' THR . 19.2 t -91.19 71.91 6.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 107' ' ' CYS . 7.4 t -36.77 -34.54 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -44.97 -57.87 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.9 p -114.86 -42.09 3.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 130.17 10.58 2.72 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -73.03 116.62 13.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.319 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 97.2 p -93.06 159.58 15.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.412 ' C ' ' HD3' ' A' ' 103' ' ' LYS . 85.4 m-85 -149.3 163.71 36.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.0 ttt-85 -87.33 -42.81 12.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.405 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -116.59 159.34 22.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 11.2 tptp -57.85 -61.94 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -39.71 -62.22 1.44 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -39.43 -48.78 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.16 -50.65 53.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 65.0 t -45.53 -48.01 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.4 m -60.4 -34.05 73.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.56 ' CE1' HD11 ' A' ' 126' ' ' ILE . 27.3 t60 -70.27 -47.5 60.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -51.31 -31.81 22.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -53.04 -23.87 8.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.56 HD11 ' CE1' ' A' ' 123' ' ' HIS . 3.3 pt -71.39 -30.47 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 128' ' ' THR . 90.6 m-70 -78.46 -52.15 8.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.834 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 127' ' ' HIS . 65.9 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.462 ' N ' ' HE2' ' A' ' 103' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.57 0.7 . . . . 0.0 110.858 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.401 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.6 Cg_endo -69.78 -14.46 36.04 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.484 ' CE2' ' HA ' ' A' ' 116' ' ' ALA . 23.9 m-85 -145.59 105.01 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -122.39 145.29 48.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 109' ' ' HIS . 9.4 t -88.98 76.09 7.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.9 t -40.67 -26.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 107' ' ' CYS . 96.8 m-70 -54.31 -58.87 5.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.854 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.1 p -112.31 -43.11 3.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 130.02 13.01 2.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.1 tptt -74.81 115.74 14.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.742 0.306 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 58.1 p -91.89 159.34 15.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -147.63 170.81 16.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 -88.76 -45.17 10.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.484 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -116.04 169.1 9.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.474 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 18.1 tttt -64.77 -63.65 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 119' ' ' ASN . . . -38.08 -62.89 0.98 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 118' ' ' GLY . 0.1 OUTLIER -37.66 -51.98 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.367 . . . . 0.0 110.874 -179.852 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.34 -51.65 49.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.1 t -45.02 -45.02 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -65.44 -33.41 75.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.558 ' CE1' HD12 ' A' ' 126' ' ' ILE . 18.0 t60 -67.84 -47.53 68.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.799 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -51.36 -33.0 27.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 47.2 mtp85 -52.32 -20.42 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.558 HD12 ' CE1' ' A' ' 123' ' ' HIS . 3.8 pt -73.44 -31.39 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 128' ' ' THR . 93.3 m-70 -77.02 -51.88 10.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 127' ' ' HIS . 72.8 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.9 mptt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.59 0.71 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -5.81 17.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.335 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 39.0 m-85 -151.65 105.0 3.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -124.89 146.57 49.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 108' ' ' THR . 15.0 t -91.72 74.68 5.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 107' ' ' CYS . 8.1 t -33.79 -39.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.159 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -42.84 -59.38 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.0 p -112.99 -44.62 3.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.6 14.85 2.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -72.88 116.25 13.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.74 0.305 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.1 p -92.25 159.72 15.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.415 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 91.5 m-85 -149.14 177.98 9.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -95.02 -44.6 7.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.487 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -117.4 157.72 25.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 18.5 tptp -54.5 -58.18 8.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -43.44 -54.95 5.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -44.17 -52.06 7.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.415 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 10.8 tp -65.63 -48.81 70.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.9 t -47.42 -51.56 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -57.58 -35.4 70.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.56 ' CE1' HD12 ' A' ' 126' ' ' ILE . 18.7 t60 -67.15 -48.08 69.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -50.94 -34.08 27.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -51.31 -19.27 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.56 HD12 ' CE1' ' A' ' 123' ' ' HIS . 4.3 pt -74.52 -32.59 30.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 128' ' ' THR . 93.1 m-70 -74.29 -54.2 8.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 127' ' ' HIS . 64.3 p . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 53.3 mttt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 121.569 0.699 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -6.62 19.0 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.363 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 43.2 m-85 -148.75 106.05 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -123.87 143.4 50.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 108' ' ' THR . 18.6 t -90.86 72.65 6.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 107' ' ' CYS . 9.9 t -33.96 -38.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -42.75 -60.76 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.2 p -111.87 -43.84 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.25 17.01 1.84 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -76.82 117.64 18.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 82.6 p -93.83 158.38 15.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.455 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 89.8 m-85 -148.8 164.74 33.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 39.4 mtt85 -82.67 -46.99 12.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.414 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -117.34 154.2 31.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 4.5 ttpm? -50.72 -65.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -34.27 -62.98 0.46 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -39.91 -50.04 2.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.36 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.455 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 15.2 tp -68.42 -51.67 41.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.9 t -44.12 -46.42 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.3 m -62.93 -33.43 75.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.564 ' CE1' HD13 ' A' ' 126' ' ' ILE . 18.0 t60 -69.79 -47.68 61.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -51.42 -32.64 27.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 125' ' ' ARG . 14.4 mtp-105 -53.12 -17.93 1.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.564 HD13 ' CE1' ' A' ' 123' ' ' HIS . 4.6 pt -75.39 -30.38 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 128' ' ' THR . 96.5 m-70 -79.9 -50.72 10.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 127' ' ' HIS . 59.4 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.61 0.719 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.501 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.3 Cg_endo -69.79 -5.95 17.46 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.718 2.278 . . . . 0.0 112.326 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 22.4 m-85 -147.97 105.15 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -122.49 145.91 47.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 111' ' ' GLY . 36.0 t -91.02 80.03 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.443 HG23 ' N ' ' A' ' 109' ' ' HIS . 10.2 t -36.41 -40.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . 0.443 ' N ' HG23 ' A' ' 108' ' ' THR . 53.8 m80 -41.95 -64.76 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.4 p -109.29 -43.7 4.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 107' ' ' CYS . . . 129.06 13.84 2.34 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.471 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -69.34 115.67 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 90.6 p -91.13 162.14 14.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.497 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 88.9 m-85 -151.36 169.93 20.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 -87.79 -42.87 12.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.505 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -122.26 152.71 39.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 13.5 ttpt -48.81 -66.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -34.17 -66.61 0.28 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.436 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 118' ' ' GLY . 10.8 t-20 -36.7 -49.62 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.353 . . . . 0.0 110.868 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.497 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 19.9 tp -68.87 -51.75 36.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.1 t -43.61 -44.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.0 m -65.24 -33.68 76.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.568 ' CE1' HD11 ' A' ' 126' ' ' ILE . 18.9 t60 -67.03 -47.49 71.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -50.94 -33.58 25.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -51.93 -18.43 1.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.568 HD11 ' CE1' ' A' ' 123' ' ' HIS . 4.7 pt -75.49 -30.61 22.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 128' ' ' THR . 93.9 m-70 -77.38 -51.01 11.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 127' ' ' HIS . 61.0 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.579 0.704 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -10.48 28.71 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.712 2.274 . . . . 0.0 112.337 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.505 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 32.8 m-85 -147.63 106.46 3.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -122.56 141.64 51.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 109' ' ' HIS . 10.1 t -87.79 71.32 9.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 107' ' ' CYS . 4.8 t -34.09 -33.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . 0.476 ' N ' ' O ' ' A' ' 107' ' ' CYS . 12.8 m-70 -47.82 -54.62 11.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 24.6 p -117.7 -42.08 2.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 127.2 17.41 2.21 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.527 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.6 tptt -78.3 115.98 18.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 82.7 p -90.26 163.57 14.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.826 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.413 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 90.9 m-85 -152.67 175.4 12.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -95.21 -44.52 7.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.812 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.439 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -117.98 157.48 26.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 8.6 tptm -55.08 -54.19 46.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 119' ' ' ASN . . . -46.51 -62.73 3.44 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 118' ' ' GLY . 4.6 m-80 -38.03 -49.33 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.413 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 17.5 tp -67.47 -50.11 60.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 97.6 t -45.73 -48.11 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.3 m -60.59 -33.32 72.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.564 ' CE1' HD11 ' A' ' 126' ' ' ILE . 18.0 t60 -70.44 -47.54 60.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -50.85 -34.03 26.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -51.17 -20.43 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.564 HD11 ' CE1' ' A' ' 123' ' ' HIS . 4.2 pt -73.72 -31.49 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 128' ' ' THR . 92.0 m-70 -75.6 -51.02 13.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 127' ' ' HIS . 64.5 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.122 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.595 0.712 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.437 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.2 Cg_endo -69.83 -9.77 26.89 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.296 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.529 ' CE2' ' HA ' ' A' ' 116' ' ' ALA . 28.0 m-85 -146.81 108.65 4.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -123.25 141.65 51.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.42 ' O ' ' N ' ' A' ' 109' ' ' HIS . 13.9 t -87.56 74.37 9.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.4 t -37.1 -32.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 107' ' ' CYS . 95.2 m-70 -48.21 -59.23 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.813 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.9 p -114.83 -41.95 3.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.93 13.11 2.27 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.521 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -74.03 117.39 15.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.0 p -94.12 159.14 15.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.515 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 89.5 m-85 -148.4 168.43 22.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -83.67 -48.43 10.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.529 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -113.87 171.36 7.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -66.17 -59.78 3.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -43.0 -53.84 5.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.45 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -45.04 -50.98 10.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.515 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 9.2 tp -67.85 -48.69 65.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.4 t -47.2 -48.09 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.3 m -60.35 -32.28 71.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.115 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.558 ' CE1' HD11 ' A' ' 126' ' ' ILE . 19.2 t60 -71.23 -47.3 58.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -51.22 -33.15 26.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 72.8 mtp85 -52.04 -21.16 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.558 HD11 ' CE1' ' A' ' 123' ' ' HIS . 3.7 pt -73.19 -30.72 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 128' ' ' THR . 91.7 m-70 -76.82 -51.81 10.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.813 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 127' ' ' HIS . 77.5 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.418 ' NZ ' ' HG2' ' A' ' 115' ' ' ARG . 11.7 mtpt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.556 0.693 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.407 ' O ' ' CD1' ' A' ' 105' ' ' PHE . 53.3 Cg_endo -69.8 -5.26 15.82 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.666 2.244 . . . . 0.0 112.329 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 24.4 m-85 -153.47 105.17 2.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -125.29 142.89 51.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 108' ' ' THR . 14.3 t -89.65 71.88 7.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 107' ' ' CYS . 9.6 t -34.4 -39.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -40.52 -60.78 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.1 p -111.22 -43.64 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.23 15.2 2.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.47 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.3 tptt -75.84 115.95 16.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.747 0.308 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 86.9 p -92.15 156.61 17.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.433 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 70.0 m-85 -145.47 171.68 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.418 ' HG2' ' NZ ' ' A' ' 103' ' ' LYS . 7.7 mmm-85 -91.94 -44.48 8.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -114.36 157.78 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.083 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 39.8 tptt -58.86 -52.62 64.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -49.77 -62.59 4.78 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.527 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -39.28 -45.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.433 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 13.8 tp -69.85 -47.81 61.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 99.3 t -48.46 -47.35 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.0 m -60.18 -34.33 73.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.562 ' CE1' HD12 ' A' ' 126' ' ' ILE . 18.7 t60 -67.5 -48.38 67.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -50.34 -35.49 28.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -49.86 -19.77 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.562 HD12 ' CE1' ' A' ' 123' ' ' HIS . 4.5 pt -73.93 -34.35 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 128' ' ' THR . 93.1 m-70 -73.19 -53.24 11.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 127' ' ' HIS . 60.9 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.177 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 37.5 mttt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.561 0.695 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.445 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.8 Cg_endo -69.81 -5.92 17.38 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.318 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.509 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 24.0 m-85 -150.41 106.94 3.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -122.82 142.82 50.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.0 t -87.69 75.66 8.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 109' ' ' HIS . 5.1 t -37.35 -34.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . 0.406 ' N ' HG23 ' A' ' 108' ' ' THR . 40.9 m-70 -47.74 -58.02 4.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.6 p -114.73 -43.63 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 130.05 12.05 2.44 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -72.39 116.59 13.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 90.6 p -90.86 159.96 15.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.418 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 87.0 m-85 -149.24 164.74 33.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -83.42 -48.38 10.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.427 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -114.05 157.7 22.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.509 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 29.3 tptt -54.55 -66.16 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -36.1 -62.75 0.7 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.451 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 118' ' ' GLY . 69.5 m-20 -37.95 -51.34 1.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.88 0.371 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.418 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 12.4 tp -66.38 -50.46 63.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.9 t -45.74 -47.09 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -61.85 -35.27 77.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.56 ' CE1' HD12 ' A' ' 126' ' ' ILE . 18.3 t60 -66.06 -47.28 74.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -51.22 -33.01 26.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -52.08 -22.27 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.56 HD12 ' CE1' ' A' ' 123' ' ' HIS . 3.7 pt -71.81 -32.41 44.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 128' ' ' THR . 91.7 m-70 -75.2 -51.52 13.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 127' ' ' HIS . 61.7 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 82.8 p -69.63 150.77 46.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.1 m -40.42 -53.57 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.01 45.58 1.09 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.513 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.4 m -93.43 114.85 27.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.372 . . . . 0.0 110.904 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.6 p -140.01 171.65 13.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 70.24 76.76 0.5 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.7 p -94.62 -24.07 17.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.356 . . . . 0.0 111.153 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.63 -88.43 0.2 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -160.32 117.67 2.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.904 0.383 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.498 ' CE ' ' O ' ' A' ' 114' ' ' PHE . 12.7 mtpp -99.0 156.63 35.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.618 0.723 . . . . 0.0 110.843 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -7.65 21.61 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.679 2.253 . . . . 0.0 112.372 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.404 ' CE2' ' HA ' ' A' ' 116' ' ' ALA . 26.2 m-85 -151.27 107.28 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -123.52 146.57 47.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 108' ' ' THR . 12.8 t -91.91 72.7 5.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 107' ' ' CYS . 5.5 t -34.25 -37.13 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.428 ' N ' HG21 ' A' ' 108' ' ' THR . 75.1 m-70 -45.23 -58.0 3.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 27.3 p -114.17 -42.83 3.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 127.87 14.98 2.43 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.0 tptt -74.62 116.7 15.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.32 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 85.0 p -91.92 159.39 15.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.498 ' O ' ' CE ' ' A' ' 103' ' ' LYS . 84.7 m-85 -148.56 170.4 18.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -90.45 -43.7 10.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.404 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -117.52 156.64 27.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.403 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 46.3 tptt -54.83 -58.47 7.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -42.46 -62.75 2.07 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.474 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -38.33 -51.9 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.423 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 17.7 tp -65.15 -51.68 59.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.5 t -44.99 -47.13 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -61.64 -34.82 76.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.554 ' CE1' HD13 ' A' ' 126' ' ' ILE . 22.9 t60 -68.74 -47.75 65.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -51.81 -31.68 28.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -53.62 -21.03 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.554 HD13 ' CE1' ' A' ' 123' ' ' HIS . 3.6 pt -73.0 -30.44 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 128' ' ' THR . 94.9 m-70 -78.37 -52.51 8.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 127' ' ' HIS . 58.4 p -34.73 145.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -72.7 -54.65 7.2 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -45.92 151.77 0.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.38 . . . . 0.0 110.91 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.86 126.35 23.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 68.4 p -107.54 -41.07 5.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 63.5 146.22 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 -172.46 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.5 t -101.11 -56.93 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 70.5 m -146.4 175.93 10.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.527 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.552 -0.219 . . . . 0.0 112.552 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.4 t -39.85 128.88 2.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 0.0 110.825 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.2 t -42.88 -55.16 3.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.74 107.1 2.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.533 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.3 t -113.46 123.52 50.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.809 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.1 t -55.88 -56.11 24.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.96 -80.5 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.8 t -161.61 157.15 24.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.873 0.368 . . . . 0.0 111.147 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 92.91 137.04 7.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -127.41 148.04 50.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.341 . . . . 0.0 110.927 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -95.47 151.77 38.81 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -8.32 23.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.632 2.221 . . . . 0.0 112.336 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.537 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 29.0 m-85 -149.88 105.22 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -122.28 140.01 53.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 108' ' ' THR . 33.5 t -88.12 75.39 8.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 107' ' ' CYS . 9.1 t -37.07 -38.18 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -42.33 -59.76 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.809 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 27.9 p -114.09 -41.73 3.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.54 11.78 2.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -72.22 116.09 12.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.5 p -93.0 163.0 13.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.811 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.405 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 86.3 m-85 -151.59 172.32 16.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -91.65 -42.46 10.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.466 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -118.86 157.67 27.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.043 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 18.9 tptp -55.53 -60.53 3.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 119' ' ' ASN . . . -40.59 -63.96 1.3 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.494 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 118' ' ' GLY . 12.5 m120 -37.9 -50.27 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.917 0.389 . . . . 0.0 110.914 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.405 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 14.4 tp -66.42 -49.51 66.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 88.7 t -46.39 -48.53 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -60.23 -32.78 71.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.557 ' CE1' HD13 ' A' ' 126' ' ' ILE . 23.7 t60 -71.07 -47.39 58.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -51.82 -31.68 28.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -53.59 -21.19 6.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.557 HD13 ' CE1' ' A' ' 123' ' ' HIS . 3.5 pt -73.37 -29.26 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.45 ' O ' ' C ' ' A' ' 128' ' ' THR . 94.8 m-70 -81.73 -50.45 9.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 127' ' ' HIS . 57.9 p -34.13 144.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -125.32 63.52 0.58 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.457 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.434 ' O ' ' CD ' ' A' ' 130' ' ' GLU . 2.2 pp20? -110.71 41.2 1.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 110.918 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -150.25 143.4 24.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 133' ' ' GLY . 12.0 t -116.68 102.39 9.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 132' ' ' SER . . . 37.98 -158.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 149.58 66.96 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.266 . . . . 0.0 112.304 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 94.7 p -116.4 -21.07 9.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 25.5 p -159.84 126.45 4.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.487 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.6 p -113.22 162.14 16.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.37 . . . . 0.0 110.834 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.6 t -115.16 -43.47 3.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.99 54.73 28.62 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.532 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 40.5 m -127.78 133.57 49.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 110.903 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.6 t -75.19 138.95 42.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 94.94 45.77 3.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.456 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.8 p -108.31 120.76 43.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 111.18 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 171.83 74.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -164.74 157.39 16.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.903 0.382 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -73.07 144.83 85.43 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.581 0.705 . . . . 0.0 110.874 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.409 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.3 Cg_endo -69.74 -9.06 25.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 27.4 m-85 -148.8 110.91 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -123.31 144.48 49.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 108' ' ' THR . 22.8 t -91.14 72.77 6.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 107' ' ' CYS . 9.8 t -34.24 -37.59 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.176 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.403 ' N ' ' O ' ' A' ' 107' ' ' CYS . 98.9 m-70 -43.11 -59.05 2.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.5 p -113.61 -43.69 3.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 131.24 6.89 3.34 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -67.68 116.19 8.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.0 p -92.89 156.28 17.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 89.0 m-85 -145.47 165.05 29.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 9.0 tpt85 -88.25 -43.22 11.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -113.54 154.13 27.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -56.77 -54.55 44.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -47.15 -60.46 5.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -39.92 -48.88 2.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.439 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 14.5 tp -67.95 -49.81 59.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 90.5 t -46.04 -46.31 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -63.52 -33.4 75.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.562 ' CE1' HD12 ' A' ' 126' ' ' ILE . 24.5 t60 -67.69 -47.33 69.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.821 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -51.27 -32.0 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -52.85 -24.34 8.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.562 HD12 ' CE1' ' A' ' 123' ' ' HIS . 3.2 pt -70.64 -34.94 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.069 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 128' ' ' THR . 87.2 m-70 -71.38 -54.03 12.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 127' ' ' HIS . 58.5 p -35.28 143.14 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -102.65 86.5 0.56 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.454 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -132.68 168.03 19.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -139.29 146.21 40.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 30.1 m -89.86 130.06 36.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 168.39 -168.42 40.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 123.92 10.57 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.698 2.265 . . . . 0.0 112.369 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 96.5 p -111.92 160.75 17.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 94.7 p -122.64 41.8 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.495 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.9 m -100.98 -58.61 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.883 0.373 . . . . 0.0 110.907 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.5 t -75.98 96.45 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -165.88 103.44 0.21 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.3 p -66.42 -46.61 75.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.36 . . . . 0.0 110.9 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.4 p -59.15 139.99 56.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -114.64 164.45 12.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.2 m -139.93 128.85 23.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 173.13 -130.93 1.97 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -141.54 116.84 10.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.895 0.379 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -126.01 149.13 65.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.622 0.725 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.506 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.9 Cg_endo -69.74 -6.72 19.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 23.2 m-85 -147.79 105.74 3.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -121.33 139.43 53.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 108' ' ' THR . 18.7 t -85.96 76.33 9.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 107' ' ' CYS . 9.7 t -34.77 -40.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -42.07 -58.58 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.794 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.8 p -114.65 -42.97 3.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 126.97 16.05 2.47 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -74.34 115.9 14.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.794 0.331 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 88.8 p -90.54 161.54 15.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -151.17 167.39 27.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.8 mtm180 -83.94 -44.21 14.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.52 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -120.11 160.07 23.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -55.75 -61.02 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 119' ' ' ASN . . . -39.47 -68.16 0.54 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 118' ' ' GLY . 4.1 m120 -34.49 -46.35 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.362 . . . . 0.0 110.883 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 18.7 tp -69.4 -48.89 59.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.3 t -46.87 -46.54 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.4 m -62.12 -33.43 74.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.562 ' CE1' HD13 ' A' ' 126' ' ' ILE . 19.8 t60 -68.49 -47.81 66.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -50.5 -33.76 22.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -50.97 -25.44 4.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.562 HD13 ' CE1' ' A' ' 123' ' ' HIS . 3.5 pt -68.68 -31.85 52.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 128' ' ' THR . 92.2 m-70 -77.18 -50.39 13.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 127' ' ' HIS . 60.7 p -36.75 -48.88 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 51.63 52.46 33.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.468 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.42 ' O ' ' CD ' ' A' ' 130' ' ' GLU . 0.5 OUTLIER -72.37 -25.31 61.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.913 0.387 . . . . 0.0 110.907 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.08 158.67 42.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 87.7 p -40.87 107.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.69 164.66 34.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 0.12 6.09 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 12.5 m -96.91 109.94 22.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.816 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 19.8 m -71.96 -45.18 61.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 91.2 p -70.09 147.13 50.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 0.0 110.86 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.3 t -78.75 -44.3 23.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -143.99 107.91 0.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 66.2 m -72.22 160.5 32.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.877 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.3 p -120.84 124.49 45.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 133.88 146.56 5.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.457 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.2 t -118.78 -14.72 9.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.328 . . . . 0.0 111.15 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.9 165.66 25.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.451 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.491 ' N ' ' OE1' ' A' ' 102' ' ' GLN . 5.1 pm0 -123.87 137.66 54.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 110.914 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.404 ' HE2' ' C ' ' A' ' 114' ' ' PHE . 10.8 mtpp -118.99 156.06 52.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.547 0.689 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.433 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.5 Cg_endo -69.81 -6.75 19.36 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.647 2.232 . . . . 0.0 112.345 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 20.7 m-85 -150.76 106.84 3.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -123.93 144.52 49.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 109' ' ' HIS . 8.7 t -88.38 72.79 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.2 t -36.39 -29.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 107' ' ' CYS . 60.6 m-70 -52.21 -57.1 10.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.825 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.9 p -115.12 -42.57 3.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.99 13.69 2.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -74.46 116.58 15.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 97.1 p -91.85 157.56 16.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.498 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 88.0 m-85 -147.04 169.16 19.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -88.04 -46.65 9.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -116.04 151.47 35.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 20.5 tptt -50.48 -60.03 3.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -40.55 -62.11 1.69 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -40.04 -53.04 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.381 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.498 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 15.6 tp -63.21 -48.38 78.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 97.4 t -47.3 -49.88 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.6 m -58.94 -35.34 72.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.553 ' CE1' HD13 ' A' ' 126' ' ' ILE . 18.2 t60 -66.68 -48.97 67.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -50.64 -35.06 28.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 125' ' ' ARG . 12.1 mtp-105 -50.17 -21.25 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.553 HD13 ' CE1' ' A' ' 123' ' ' HIS . 4.1 pt -71.75 -34.22 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -74.1 -65.06 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.428 HG23 ' N ' ' A' ' 129' ' ' GLY . 6.7 t -74.45 -46.04 42.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.428 ' N ' HG23 ' A' ' 128' ' ' THR . . . 41.65 38.62 2.3 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.446 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -113.73 39.51 2.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.919 0.39 . . . . 0.0 110.865 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -76.17 -55.33 5.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 92.1 p -103.38 141.75 35.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -158.05 -69.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.448 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -2.94 11.08 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.713 2.276 . . . . 0.0 112.326 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.6 m -67.99 108.52 3.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 52.7 p -106.57 152.45 23.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.6 m -99.62 -61.27 1.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.879 0.371 . . . . 0.0 110.824 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.5 m -97.85 -55.13 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 119.52 -167.62 13.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.5 m -128.21 155.44 44.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.4 t -64.62 115.2 4.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 97.66 144.99 18.2 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 96.0 m -130.84 123.13 28.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.86 0.362 . . . . 0.0 111.097 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 172.64 -137.01 3.99 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -158.95 137.75 11.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.883 0.373 . . . . 0.0 110.892 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.458 ' HD3' ' CB ' ' A' ' 113' ' ' SER . 2.6 mptp? -129.47 153.42 80.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.59 0.709 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -12.88 33.85 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.723 2.282 . . . . 0.0 112.309 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.494 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 31.2 m-85 -146.03 107.25 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -121.97 139.68 53.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 109' ' ' HIS . 8.9 t -84.12 75.57 10.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.8 t -38.22 -28.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.159 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 107' ' ' CYS . 83.9 m-70 -54.39 -49.65 69.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.8 p -122.62 -42.04 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.33 9.22 3.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -69.87 116.48 10.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.35 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.458 ' CB ' ' HD3' ' A' ' 103' ' ' LYS . 87.5 p -91.48 162.47 14.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 113' ' ' SER . 75.5 m-85 -151.24 175.84 11.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -93.98 -44.13 8.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.486 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -118.43 159.8 22.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.494 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 21.3 tptp -56.77 -58.44 8.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -43.15 -61.93 2.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -38.37 -51.12 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.424 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 13.8 tp -66.43 -51.06 60.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 99.0 t -44.71 -47.11 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -61.67 -33.76 74.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.563 ' CE1' HD12 ' A' ' 126' ' ' ILE . 18.3 t60 -69.88 -47.72 61.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -50.97 -32.51 21.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -52.3 -25.12 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.563 HD12 ' CE1' ' A' ' 123' ' ' HIS . 3.9 pt -68.26 -32.5 56.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 128' ' ' THR . 93.1 m-70 -75.09 -53.18 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 127' ' ' HIS . 61.3 p -34.89 143.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -144.91 70.48 0.38 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.462 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -111.85 45.72 1.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.383 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -81.04 49.47 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 54.6 p -90.62 151.46 21.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 116.39 170.34 15.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 112.29 3.03 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.338 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 58.4 m -79.14 122.44 26.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.7 t -150.21 120.06 7.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.485 -179.945 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.6 t -92.66 151.65 19.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.83 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.5 t -103.15 -53.36 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.56 95.13 2.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.3 p -169.9 150.57 3.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.5 t -120.58 116.44 25.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -108.22 -147.16 12.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.9 p -48.36 175.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 111.132 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.09 -62.12 1.61 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.461 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -145.67 155.08 42.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.46 ' CE ' ' O ' ' A' ' 114' ' ' PHE . 14.3 mtpp -130.45 155.11 81.54 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.48 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.3 Cg_endo -69.78 -9.31 25.78 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 20.9 m-85 -147.28 105.68 3.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -121.23 150.86 40.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 108' ' ' THR . 22.5 t -94.39 73.97 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 107' ' ' CYS . 4.6 t -35.43 -37.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -46.13 -55.85 6.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.5 p -116.52 -44.84 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 132.28 7.81 2.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -65.67 119.13 10.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.786 0.327 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.3 p -95.91 160.47 14.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.85 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.46 ' O ' ' CE ' ' A' ' 103' ' ' LYS . 84.4 m-85 -150.81 170.27 19.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 -88.72 -44.84 10.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.504 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -117.24 156.78 27.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 27.9 tttt -53.88 -66.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -35.83 -52.51 1.15 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -47.13 -47.74 23.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.853 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.0 tp -71.98 -48.55 44.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.3 t -47.71 -44.23 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.4 m -66.65 -32.0 73.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.562 ' CE1' HD11 ' A' ' 126' ' ' ILE . 27.5 t60 -70.1 -47.12 63.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -51.66 -31.31 25.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 56.1 mtt-85 -53.66 -22.24 8.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.562 HD11 ' CE1' ' A' ' 123' ' ' HIS . 3.3 pt -73.5 -28.31 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 128' ' ' THR . 89.4 m-70 -79.36 -52.01 8.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 127' ' ' HIS . 60.0 p -35.79 113.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -83.65 51.11 4.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -73.24 -59.53 2.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 50.4 mttt -84.23 39.94 0.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 64.6 p -72.08 163.76 27.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -99.61 146.03 17.74 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.467 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 158.57 56.48 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.365 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 136' ' ' SER . 31.3 t -72.5 -44.0 62.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 135' ' ' SER . 50.7 p 36.56 43.23 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.7 m -118.74 149.26 41.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.339 . . . . 0.0 110.908 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.5 p -107.17 -8.59 16.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.76 -171.39 51.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.437 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.3 t -75.39 98.79 3.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.832 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.2 p -143.36 124.16 14.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.58 176.84 21.77 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.0 t -85.49 154.36 21.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.807 0.337 . . . . 0.0 111.12 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.24 -172.19 44.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -122.84 146.65 47.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.88 0.371 . . . . 0.0 110.925 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -101.01 161.56 23.33 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.577 0.703 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.418 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.8 Cg_endo -69.76 -5.8 17.07 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.689 2.26 . . . . 0.0 112.339 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 44.9 m-85 -147.7 106.48 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -122.97 141.1 52.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 108' ' ' THR . 17.3 t -88.94 74.95 8.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 109' ' ' HIS . 6.6 t -35.47 -39.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.436 ' N ' HG23 ' A' ' 108' ' ' THR . 98.7 m-70 -41.91 -59.25 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.3 p -114.34 -43.69 3.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 130.04 12.62 2.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -72.66 116.32 12.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.766 0.317 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 78.7 p -93.02 158.95 15.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -148.75 166.09 29.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -83.05 -47.24 11.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.434 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -116.73 157.04 26.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 21.0 tttm -53.81 -66.53 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -34.5 -62.99 0.49 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.486 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -39.99 -49.44 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 19.3 tp -68.27 -50.41 53.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 68.1 t -45.13 -45.26 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.3 m -63.84 -34.7 78.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.56 ' CE1' HD11 ' A' ' 126' ' ' ILE . 17.9 t60 -65.89 -48.07 72.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -50.73 -34.68 27.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.423 ' NH1' ' HB3' ' A' ' 125' ' ' ARG . 9.0 mtp-105 -50.44 -21.27 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.56 HD11 ' CE1' ' A' ' 123' ' ' HIS . 3.9 pt -72.52 -32.47 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 128' ' ' THR . 95.0 m-70 -76.75 -51.45 11.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 127' ' ' HIS . 72.4 p -35.32 140.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -71.29 -101.92 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 61.79 41.67 11.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.906 0.384 . . . . 0.0 110.899 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -117.84 97.53 5.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.2 m -43.27 140.07 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 75.62 148.38 2.07 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 146.1 59.1 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.718 2.278 . . . . 0.0 112.307 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 50.1 p -136.43 161.43 35.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 41.0 m -95.09 -53.41 3.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.7 m -43.16 -56.0 3.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 110.844 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.2 m -101.49 91.25 4.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -162.55 80.1 0.14 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.3 m -83.17 -51.76 7.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 110.904 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.7 p -111.29 148.52 32.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.37 -143.01 11.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.446 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 33.4 p -52.16 176.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 111.145 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -156.45 118.63 0.85 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -137.13 105.47 5.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.895 0.379 . . . . 0.0 110.899 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -131.37 153.0 81.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.574 0.702 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -11.48 30.9 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.491 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 41.0 m-85 -146.22 105.03 3.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -122.77 139.11 54.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 108' ' ' THR . 20.6 t -87.0 73.98 9.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 107' ' ' CYS . 7.7 t -34.09 -39.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -41.69 -61.18 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.1 p -111.58 -43.82 3.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.4 17.38 1.96 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.4 tptt -76.3 116.66 17.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 53.3 p -93.2 158.65 15.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.437 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 88.9 m-85 -148.34 169.34 20.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -85.66 -45.5 11.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.456 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -116.51 169.35 9.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.088 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.491 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 18.0 tttt -65.12 -66.29 0.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -35.16 -61.35 0.66 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.451 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -39.72 -51.58 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.357 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.437 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 13.6 tp -67.65 -48.99 65.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 92.7 t -46.81 -46.47 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.4 m -63.98 -34.26 77.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.571 ' CE1' HD13 ' A' ' 126' ' ' ILE . 15.7 t60 -65.44 -47.43 76.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.806 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -50.44 -34.86 26.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.968 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 40.4 mtp85 -50.07 -22.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.571 HD13 ' CE1' ' A' ' 123' ' ' HIS . 4.4 pt -70.55 -34.02 55.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 128' ' ' THR . 94.4 m-70 -75.64 -50.17 16.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 127' ' ' HIS . 71.7 p -36.6 110.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -83.72 40.8 2.9 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -110.48 97.74 7.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.912 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.25 142.72 16.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 31.6 t -119.58 101.2 7.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -162.08 -158.24 9.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -7.61 21.5 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.329 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.2 t 39.26 47.02 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 68.4 m -63.57 -54.41 36.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 t -78.66 105.16 9.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.914 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 36.3 t -148.03 117.7 7.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.822 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -108.97 -131.28 6.29 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 53.2 p -157.91 134.39 9.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.83 0.348 . . . . 0.0 110.875 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.4 p -39.04 -51.91 1.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 128.11 -111.36 1.27 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 31.5 p -85.16 173.17 10.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 111.159 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 175.25 -99.59 0.14 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.18 160.04 21.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.897 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -125.92 159.05 63.56 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -15.45 37.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.337 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' A' ' 116' ' ' ALA . 26.6 m-85 -144.73 105.85 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -123.31 140.87 52.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 108' ' ' THR . 15.0 t -87.04 72.65 10.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 107' ' ' CYS . 10.1 t -34.12 -38.32 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.152 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -42.55 -59.94 1.71 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.7 p -112.39 -43.97 3.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.07 17.93 1.76 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -78.03 115.66 17.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.319 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.0 p -89.93 162.85 15.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -151.81 174.68 13.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -91.76 -47.42 7.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.808 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.55 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -114.48 174.03 6.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.049 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.47 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 12.8 tptm -69.99 -52.38 24.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -48.25 -60.13 5.9 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -40.2 -50.82 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 16.0 tp -65.93 -51.46 58.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.6 t -45.34 -47.65 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.4 m -61.04 -32.75 72.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.563 ' CE1' HD13 ' A' ' 126' ' ' ILE . 18.4 t60 -70.88 -47.89 56.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -50.52 -35.1 27.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -50.07 -21.28 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.563 HD13 ' CE1' ' A' ' 123' ' ' HIS . 4.2 pt -72.43 -33.15 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 128' ' ' THR . 92.5 m-70 -73.94 -53.35 10.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 127' ' ' HIS . 72.2 p -35.44 115.41 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -56.26 -88.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 54.11 41.6 31.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.93 0.395 . . . . 0.0 110.905 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -164.4 108.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 69.3 p -100.06 104.8 16.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 94.38 145.51 18.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 133.82 26.49 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 136' ' ' SER . 2.0 m -83.48 80.26 9.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 135' ' ' SER . 35.1 t 37.39 41.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.794 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.6 t -134.64 -46.23 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.827 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.7 p -50.84 167.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -166.07 -71.43 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.5 t -50.5 97.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.878 0.371 . . . . 0.0 110.879 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.6 p -125.82 107.29 10.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 171.01 -67.26 0.14 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.1 t -67.1 137.28 56.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 111.177 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 177.45 -50.63 0.1 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.421 ' C ' ' HD2' ' A' ' 103' ' ' LYS . 8.5 tm0? -169.52 138.22 1.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 110.916 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 102' ' ' GLN . 0.7 OUTLIER -143.41 156.46 60.55 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.592 0.71 . . . . 0.0 110.902 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.42 ' O ' ' CD1' ' A' ' 105' ' ' PHE . 53.8 Cg_endo -69.72 -6.01 17.55 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.709 2.272 . . . . 0.0 112.324 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.445 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 27.4 m-85 -154.4 105.0 2.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -121.46 144.15 48.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 108' ' ' THR . 23.5 t -91.55 74.02 5.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 107' ' ' CYS . 10.1 t -35.7 -38.48 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.159 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -42.65 -60.22 1.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 28.2 p -112.86 -43.1 3.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.15 14.49 2.21 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -74.58 117.39 16.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.735 0.302 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.404 ' C ' ' CD1' ' A' ' 114' ' ' PHE . 85.3 p -94.47 161.51 14.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 113' ' ' SER . 80.0 m-85 -150.69 173.17 14.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 -93.47 -41.47 9.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -116.86 159.68 22.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.445 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 15.9 tptm -60.33 -54.65 43.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -46.68 -58.54 5.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -41.78 -50.83 4.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.6 tp -66.03 -48.4 71.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 89.6 t -47.35 -47.07 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -62.47 -33.01 73.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.169 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.56 ' CE1' HD11 ' A' ' 126' ' ' ILE . 21.2 t60 -69.68 -47.83 61.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -51.9 -31.74 29.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -53.76 -19.35 4.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.56 HD11 ' CE1' ' A' ' 123' ' ' HIS . 3.8 pt -74.5 -31.85 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -80.57 -45.16 17.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 80.6 p -38.85 138.94 0.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -105.47 65.78 0.28 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -125.07 41.13 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.947 0.403 . . . . 0.0 110.921 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.1 155.69 47.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 98.8 p -95.64 147.25 23.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.62 146.25 6.74 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 91.39 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.653 2.235 . . . . 0.0 112.321 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 31.0 t -83.59 110.0 17.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 39.1 t -64.63 -49.66 70.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.545 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.6 m -116.58 167.85 10.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.837 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 95.9 p -99.96 127.75 46.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.13 55.14 14.04 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.46 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.8 p -58.56 133.38 55.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.876 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.7 m -45.74 -50.44 13.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 105.1 157.45 23.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.457 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.1 t -120.55 -24.64 5.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 111.155 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 148.17 -121.1 1.29 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.457 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -162.67 150.02 13.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 110.945 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.412 ' HD3' ' C ' ' A' ' 114' ' ' PHE . 19.9 mttp -123.67 161.76 44.38 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.528 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.9 Cg_endo -69.75 -4.83 14.81 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.737 2.291 . . . . 0.0 112.339 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 30.4 m-85 -145.21 106.96 4.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -125.45 141.64 51.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 108' ' ' THR . 19.2 t -91.19 71.91 6.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 107' ' ' CYS . 7.4 t -36.77 -34.54 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -44.97 -57.87 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.9 p -114.86 -42.09 3.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 130.17 10.58 2.72 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -73.03 116.62 13.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.319 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 97.2 p -93.06 159.58 15.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.412 ' C ' ' HD3' ' A' ' 103' ' ' LYS . 85.4 m-85 -149.3 163.71 36.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.0 ttt-85 -87.33 -42.81 12.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.405 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -116.59 159.34 22.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 11.2 tptp -57.85 -61.94 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -39.71 -62.22 1.44 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -39.43 -48.78 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.16 -50.65 53.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 65.0 t -45.53 -48.01 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.4 m -60.4 -34.05 73.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.56 ' CE1' HD11 ' A' ' 126' ' ' ILE . 27.3 t60 -70.27 -47.5 60.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -51.31 -31.81 22.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -53.04 -23.87 8.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.56 HD11 ' CE1' ' A' ' 123' ' ' HIS . 3.3 pt -71.39 -30.47 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 128' ' ' THR . 90.6 m-70 -78.46 -52.15 8.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.834 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 127' ' ' HIS . 65.9 p -35.48 138.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -100.17 73.97 0.45 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -153.86 137.19 15.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.941 0.401 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.9 tttm -122.62 88.79 2.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 69.8 m 45.06 39.79 4.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -100.38 -158.33 27.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.537 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 179.39 3.74 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.721 2.281 . . . . 0.0 112.303 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 39.3 t -79.69 138.66 37.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 92.9 p -68.8 132.02 46.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.458 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.8 t -69.49 169.03 13.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 110.887 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.9 t -130.77 128.36 40.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.71 150.82 51.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 91.0 p -94.25 -44.36 8.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.359 . . . . 0.0 110.852 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.9 m -131.07 144.77 51.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 123.04 -53.31 0.74 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.8 t -57.51 136.46 56.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.797 0.332 . . . . 0.0 111.135 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -130.03 -99.51 0.87 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -161.02 109.7 1.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.379 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.462 ' N ' ' HE2' ' A' ' 103' ' ' LYS . 0.3 OUTLIER -88.03 159.74 47.74 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.57 0.7 . . . . 0.0 110.858 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.401 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.6 Cg_endo -69.78 -14.46 36.04 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.484 ' CE2' ' HA ' ' A' ' 116' ' ' ALA . 23.9 m-85 -145.59 105.01 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -122.39 145.29 48.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 109' ' ' HIS . 9.4 t -88.98 76.09 7.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.9 t -40.67 -26.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 107' ' ' CYS . 96.8 m-70 -54.31 -58.87 5.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.854 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.1 p -112.31 -43.11 3.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 130.02 13.01 2.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.1 tptt -74.81 115.74 14.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.742 0.306 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 58.1 p -91.89 159.34 15.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -147.63 170.81 16.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 -88.76 -45.17 10.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.484 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -116.04 169.1 9.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.474 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 18.1 tttt -64.77 -63.65 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 119' ' ' ASN . . . -38.08 -62.89 0.98 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 118' ' ' GLY . 0.1 OUTLIER -37.66 -51.98 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.367 . . . . 0.0 110.874 -179.852 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 14.1 tp -67.34 -51.65 49.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.1 t -45.02 -45.02 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -65.44 -33.41 75.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.558 ' CE1' HD12 ' A' ' 126' ' ' ILE . 18.0 t60 -67.84 -47.53 68.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.799 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -51.36 -33.0 27.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 47.2 mtp85 -52.32 -20.42 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.558 HD12 ' CE1' ' A' ' 123' ' ' HIS . 3.8 pt -73.44 -31.39 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 128' ' ' THR . 93.3 m-70 -77.02 -51.88 10.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 127' ' ' HIS . 72.8 p -36.68 146.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -142.55 73.56 0.36 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' A' ' 131' ' ' LYS . 9.2 pt-20 -103.76 107.7 18.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.93 0.395 . . . . 0.0 110.9 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER 32.35 41.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.4 t -69.86 -61.12 1.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 174.84 151.29 8.35 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 88.45 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.739 2.292 . . . . 0.0 112.327 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 60.0 p -125.14 40.79 3.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.2 t -43.0 -59.8 1.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.5 t -89.19 154.0 20.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.873 0.368 . . . . 0.0 110.851 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.4 m -59.73 -53.78 54.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -166.44 144.54 9.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.0 m -155.44 142.09 18.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.351 . . . . 0.0 110.855 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.7 p -103.59 40.96 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -137.61 138.66 9.83 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 86.9 m -118.71 116.87 27.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.37 . . . . 0.0 111.115 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 102' ' ' GLN . . . -89.58 57.1 3.82 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.464 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 101' ' ' GLY . 5.2 pt20 36.84 49.53 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.897 0.38 . . . . 0.0 110.9 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -38.92 147.94 0.27 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.59 0.71 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -5.81 17.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.335 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 39.0 m-85 -151.65 105.0 3.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -124.89 146.57 49.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 108' ' ' THR . 15.0 t -91.72 74.68 5.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 107' ' ' CYS . 8.1 t -33.79 -39.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.159 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -42.84 -59.38 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.0 p -112.99 -44.62 3.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.6 14.85 2.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -72.88 116.25 13.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.74 0.305 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.1 p -92.25 159.72 15.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.415 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 91.5 m-85 -149.14 177.98 9.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -95.02 -44.6 7.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.487 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -117.4 157.72 25.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 18.5 tptp -54.5 -58.18 8.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -43.44 -54.95 5.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -44.17 -52.06 7.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.415 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 10.8 tp -65.63 -48.81 70.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.9 t -47.42 -51.56 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -57.58 -35.4 70.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.56 ' CE1' HD12 ' A' ' 126' ' ' ILE . 18.7 t60 -67.15 -48.08 69.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -50.94 -34.08 27.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -51.31 -19.27 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.56 HD12 ' CE1' ' A' ' 123' ' ' HIS . 4.3 pt -74.52 -32.59 30.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 128' ' ' THR . 93.1 m-70 -74.29 -54.2 8.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 127' ' ' HIS . 64.3 p -34.75 104.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -51.26 -42.62 49.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -40.02 136.0 1.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 0.0 110.905 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -98.09 132.3 43.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.7 m -124.69 129.66 50.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 55.83 168.19 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.521 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 166.1 28.69 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.727 2.284 . . . . 0.0 112.361 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 47.2 t -68.99 -48.85 62.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.0 m 64.14 43.53 4.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.892 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.473 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.7 t -86.24 106.66 17.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.883 0.373 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.5 p -67.29 -48.9 66.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.836 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.41 166.76 33.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 t -76.02 167.05 22.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.853 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.9 t -43.74 136.05 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.69 135.36 44.29 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.3 m -113.25 103.72 11.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.847 0.356 . . . . 0.0 111.127 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -164.66 -179.64 38.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -90.3 162.44 15.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.946 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -150.96 161.14 30.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.569 0.699 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -6.62 19.0 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.363 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 43.2 m-85 -148.75 106.05 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -123.87 143.4 50.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 108' ' ' THR . 18.6 t -90.86 72.65 6.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 107' ' ' CYS . 9.9 t -33.96 -38.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -42.75 -60.76 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.2 p -111.87 -43.84 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.25 17.01 1.84 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -76.82 117.64 18.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 82.6 p -93.83 158.38 15.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.455 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 89.8 m-85 -148.8 164.74 33.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 39.4 mtt85 -82.67 -46.99 12.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.414 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -117.34 154.2 31.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 4.5 ttpm? -50.72 -65.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -34.27 -62.98 0.46 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -39.91 -50.04 2.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.36 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.455 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 15.2 tp -68.42 -51.67 41.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.9 t -44.12 -46.42 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.3 m -62.93 -33.43 75.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.564 ' CE1' HD13 ' A' ' 126' ' ' ILE . 18.0 t60 -69.79 -47.68 61.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -51.42 -32.64 27.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 125' ' ' ARG . 14.4 mtp-105 -53.12 -17.93 1.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.564 HD13 ' CE1' ' A' ' 123' ' ' HIS . 4.6 pt -75.39 -30.38 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 128' ' ' THR . 96.5 m-70 -79.9 -50.72 10.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 127' ' ' HIS . 59.4 p -35.62 120.02 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -122.11 53.58 0.72 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -120.13 133.32 55.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -155.72 143.76 19.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 70.1 m -136.53 154.59 50.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 87.76 -157.29 28.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 171.44 14.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 5.1 m -98.65 130.68 45.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.816 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 47.0 p -124.69 140.13 53.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.855 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 44.6 p -144.9 118.29 9.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.944 0.402 . . . . 0.0 110.825 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 96.6 p -113.42 96.03 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 136.23 47.22 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.9 m -52.3 151.35 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 0.0 110.883 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.7 p -66.37 170.05 6.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 154.48 -143.83 10.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.1 p -123.42 -20.26 5.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.78 0.324 . . . . 0.0 111.119 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 149.39 129.59 1.76 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -76.1 159.06 31.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 0.0 110.949 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.55 161.49 39.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.501 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.3 Cg_endo -69.79 -5.95 17.46 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.718 2.278 . . . . 0.0 112.326 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 22.4 m-85 -147.97 105.15 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -122.49 145.91 47.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 111' ' ' GLY . 36.0 t -91.02 80.03 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.443 HG23 ' N ' ' A' ' 109' ' ' HIS . 10.2 t -36.41 -40.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.443 ' N ' HG23 ' A' ' 108' ' ' THR . 53.8 m80 -41.95 -64.76 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.4 p -109.29 -43.7 4.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 107' ' ' CYS . . . 129.06 13.84 2.34 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.471 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -69.34 115.67 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 90.6 p -91.13 162.14 14.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.497 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 88.9 m-85 -151.36 169.93 20.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 -87.79 -42.87 12.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.505 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -122.26 152.71 39.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 13.5 ttpt -48.81 -66.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -34.17 -66.61 0.28 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.436 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 118' ' ' GLY . 10.8 t-20 -36.7 -49.62 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.353 . . . . 0.0 110.868 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.497 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 19.9 tp -68.87 -51.75 36.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.1 t -43.61 -44.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.0 m -65.24 -33.68 76.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.568 ' CE1' HD11 ' A' ' 126' ' ' ILE . 18.9 t60 -67.03 -47.49 71.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -50.94 -33.58 25.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -51.93 -18.43 1.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.568 HD11 ' CE1' ' A' ' 123' ' ' HIS . 4.7 pt -75.49 -30.61 22.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 128' ' ' THR . 93.9 m-70 -77.38 -51.01 11.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 127' ' ' HIS . 61.0 p -36.64 145.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -85.25 69.33 3.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -116.05 -46.83 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -101.13 -59.27 1.73 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 28.6 m -87.4 94.56 9.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 78.78 62.64 2.22 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 159.59 52.83 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.382 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 48.1 t -95.46 161.44 14.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.4 m -38.87 -59.05 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.4 p -40.89 124.93 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.875 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.0 p -71.08 143.39 50.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 154.61 90.66 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 t -123.72 115.83 22.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.6 p -49.56 162.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -126.34 60.23 0.65 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.6 p -54.41 -35.43 62.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 0.0 111.13 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.57 163.27 23.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -77.54 143.35 38.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.944 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -119.5 154.86 54.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.579 0.704 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -10.48 28.71 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.712 2.274 . . . . 0.0 112.337 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.505 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 32.8 m-85 -147.63 106.46 3.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -122.56 141.64 51.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 109' ' ' HIS . 10.1 t -87.79 71.32 9.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 107' ' ' CYS . 4.8 t -34.09 -33.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.476 ' N ' ' O ' ' A' ' 107' ' ' CYS . 12.8 m-70 -47.82 -54.62 11.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 24.6 p -117.7 -42.08 2.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 127.2 17.41 2.21 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.527 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.6 tptt -78.3 115.98 18.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 82.7 p -90.26 163.57 14.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.826 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.413 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 90.9 m-85 -152.67 175.4 12.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -95.21 -44.52 7.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.812 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.439 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -117.98 157.48 26.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 8.6 tptm -55.08 -54.19 46.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 119' ' ' ASN . . . -46.51 -62.73 3.44 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 118' ' ' GLY . 4.6 m-80 -38.03 -49.33 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.413 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 17.5 tp -67.47 -50.11 60.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 97.6 t -45.73 -48.11 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.3 m -60.59 -33.32 72.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.564 ' CE1' HD11 ' A' ' 126' ' ' ILE . 18.0 t60 -70.44 -47.54 60.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -50.85 -34.03 26.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -51.17 -20.43 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.564 HD11 ' CE1' ' A' ' 123' ' ' HIS . 4.2 pt -73.72 -31.49 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 128' ' ' THR . 92.0 m-70 -75.6 -51.02 13.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 127' ' ' HIS . 64.5 p -36.57 -46.37 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.122 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 46.75 74.99 0.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 131' ' ' LYS . 18.6 pt-20 -120.31 -43.96 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.931 0.396 . . . . 0.0 110.868 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -77.84 139.33 39.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 30.4 t -40.09 119.9 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -49.47 -179.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -24.34 29.53 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.347 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.2 t 41.48 43.58 2.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.2 m -73.65 -62.88 1.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.9 p -91.61 93.1 8.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 110.874 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 84.0 p -159.76 113.06 2.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 173.66 140.24 3.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.533 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 m -60.23 163.23 5.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 0.0 110.873 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.2 t -82.27 134.69 35.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.27 96.97 0.28 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.473 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.1 t -137.59 120.75 16.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 111.168 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.94 179.77 2.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -132.5 129.31 38.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -94.41 150.16 37.75 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.595 0.712 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.437 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.2 Cg_endo -69.83 -9.77 26.89 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.296 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.529 ' CE2' ' HA ' ' A' ' 116' ' ' ALA . 28.0 m-85 -146.81 108.65 4.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -123.25 141.65 51.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.42 ' O ' ' N ' ' A' ' 109' ' ' HIS . 13.9 t -87.56 74.37 9.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.4 t -37.1 -32.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 107' ' ' CYS . 95.2 m-70 -48.21 -59.23 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.813 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.9 p -114.83 -41.95 3.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.93 13.11 2.27 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.521 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -74.03 117.39 15.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.0 p -94.12 159.14 15.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.515 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 89.5 m-85 -148.4 168.43 22.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -83.67 -48.43 10.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.529 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -113.87 171.36 7.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -66.17 -59.78 3.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -43.0 -53.84 5.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.45 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -45.04 -50.98 10.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.515 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 9.2 tp -67.85 -48.69 65.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 93.4 t -47.2 -48.09 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.3 m -60.35 -32.28 71.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.115 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.558 ' CE1' HD11 ' A' ' 126' ' ' ILE . 19.2 t60 -71.23 -47.3 58.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -51.22 -33.15 26.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 72.8 mtp85 -52.04 -21.16 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.558 HD11 ' CE1' ' A' ' 123' ' ' HIS . 3.7 pt -73.19 -30.72 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 128' ' ' THR . 91.7 m-70 -76.82 -51.81 10.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.813 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 127' ' ' HIS . 77.5 p -35.93 128.19 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -70.59 99.32 0.73 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.516 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -152.19 126.6 9.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.946 0.403 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.79 142.02 48.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 88.4 p -103.76 105.29 15.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -141.13 150.22 21.64 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 2.3 3.64 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 18.5 m -84.76 168.59 15.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.4 m -44.59 130.54 6.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.507 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.1 m -89.8 139.42 30.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 35.8 t -172.92 142.12 1.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 139.42 53.42 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 50.6 m -123.33 130.38 52.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.908 0.385 . . . . 0.0 110.841 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.3 m -82.49 91.27 6.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 63.09 114.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 41.0 p -50.93 141.02 14.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 111.128 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -113.57 166.32 12.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.528 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -78.73 159.38 27.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.418 ' NZ ' ' HG2' ' A' ' 115' ' ' ARG . 11.7 mtpt -121.54 154.94 59.91 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.556 0.693 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.407 ' O ' ' CD1' ' A' ' 105' ' ' PHE . 53.3 Cg_endo -69.8 -5.26 15.82 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.666 2.244 . . . . 0.0 112.329 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 24.4 m-85 -153.47 105.17 2.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -125.29 142.89 51.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 108' ' ' THR . 14.3 t -89.65 71.88 7.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 107' ' ' CYS . 9.6 t -34.4 -39.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -40.52 -60.78 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.1 p -111.22 -43.64 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.23 15.2 2.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.47 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.3 tptt -75.84 115.95 16.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.747 0.308 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 86.9 p -92.15 156.61 17.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.433 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 70.0 m-85 -145.47 171.68 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.418 ' HG2' ' NZ ' ' A' ' 103' ' ' LYS . 7.7 mmm-85 -91.94 -44.48 8.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -114.36 157.78 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.083 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 39.8 tptt -58.86 -52.62 64.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -49.77 -62.59 4.78 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.527 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -39.28 -45.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.433 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 13.8 tp -69.85 -47.81 61.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 99.3 t -48.46 -47.35 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.0 m -60.18 -34.33 73.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.562 ' CE1' HD12 ' A' ' 126' ' ' ILE . 18.7 t60 -67.5 -48.38 67.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -50.34 -35.49 28.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -49.86 -19.77 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.562 HD12 ' CE1' ' A' ' 123' ' ' HIS . 4.5 pt -73.93 -34.35 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 128' ' ' THR . 93.1 m-70 -73.19 -53.24 11.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 127' ' ' HIS . 60.9 p -34.65 113.88 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.177 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -110.98 80.69 0.27 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.479 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -144.81 155.58 43.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.86 0.362 . . . . 0.0 110.912 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -156.29 127.03 6.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.2 t -94.25 169.59 10.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -139.18 -175.82 14.32 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -0.17 6.52 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.333 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.2 m -138.28 136.91 36.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 25.5 p -119.07 126.21 51.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.1 m -130.82 171.9 12.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.881 0.372 . . . . 0.0 110.822 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.4 t -119.08 147.99 43.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -118.09 173.33 14.79 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.6 p -83.84 -41.81 17.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 110.904 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.7 m -84.37 119.45 25.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -90.47 -93.07 1.24 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 37.9 p -105.95 111.11 23.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.838 0.352 . . . . 0.0 111.169 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -109.45 -125.96 5.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.415 ' CD ' ' N ' ' A' ' 102' ' ' GLN . 0.1 OUTLIER -134.13 127.5 32.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.855 0.359 . . . . 0.0 110.908 -179.888 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -152.26 159.92 32.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.561 0.695 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.445 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.8 Cg_endo -69.81 -5.92 17.38 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.318 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.509 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 24.0 m-85 -150.41 106.94 3.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -122.82 142.82 50.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.0 t -87.69 75.66 8.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 109' ' ' HIS . 5.1 t -37.35 -34.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.406 ' N ' HG23 ' A' ' 108' ' ' THR . 40.9 m-70 -47.74 -58.02 4.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.6 p -114.73 -43.63 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 130.05 12.05 2.44 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -72.39 116.59 13.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 90.6 p -90.86 159.96 15.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.418 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 87.0 m-85 -149.24 164.74 33.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -83.42 -48.38 10.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.427 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -114.05 157.7 22.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.509 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 29.3 tptt -54.55 -66.16 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -36.1 -62.75 0.7 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.451 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 118' ' ' GLY . 69.5 m-20 -37.95 -51.34 1.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.88 0.371 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.418 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 12.4 tp -66.38 -50.46 63.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.9 t -45.74 -47.09 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -61.85 -35.27 77.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.56 ' CE1' HD12 ' A' ' 126' ' ' ILE . 18.3 t60 -66.06 -47.28 74.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -51.22 -33.01 26.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -52.08 -22.27 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.56 HD12 ' CE1' ' A' ' 123' ' ' HIS . 3.7 pt -71.81 -32.41 44.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 128' ' ' THR . 91.7 m-70 -75.2 -51.52 13.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 127' ' ' HIS . 61.7 p -36.95 -45.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 52.23 68.41 1.58 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -101.12 83.71 2.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.932 0.396 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.454 ' N ' ' HD3' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -119.6 84.1 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 67.0 p -134.92 105.69 6.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -100.24 159.86 19.3 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.458 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 137.87 36.62 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.387 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.8 m -166.73 150.98 7.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.3 m -50.63 -56.96 9.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.493 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.498 ' CE ' ' O ' ' A' ' 114' ' ' PHE . 12.7 mtpp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.618 0.723 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -7.65 21.61 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.679 2.253 . . . . 0.0 112.372 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' A' ' 116' ' ' ALA . 26.2 m-85 -151.27 107.28 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -123.52 146.57 47.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 108' ' ' THR . 12.8 t -91.91 72.7 5.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 107' ' ' CYS . 5.5 t -34.25 -37.13 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 107' ' ' CYS . 75.1 m-70 -45.23 -58.0 3.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 27.3 p -114.17 -42.83 3.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 127.87 14.98 2.43 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.0 tptt -74.62 116.7 15.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.32 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 85.0 p -91.92 159.39 15.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.498 ' O ' ' CE ' ' A' ' 103' ' ' LYS . 84.7 m-85 -148.56 170.4 18.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -90.45 -43.7 10.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.423 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -117.52 156.64 27.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.514 ' O ' HG23 ' A' ' 121' ' ' VAL . 46.3 tptt -54.83 -58.47 7.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -42.46 -62.75 2.07 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.474 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -38.33 -51.9 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.441 HD13 ' CD1' ' A' ' 114' ' ' PHE . 17.7 tp -65.15 -51.68 59.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 117' ' ' LYS . 93.5 t -44.99 -47.13 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -61.64 -34.82 76.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.831 ' O ' HG23 ' A' ' 126' ' ' ILE . 22.9 t60 -68.74 -47.75 65.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -51.81 -31.68 28.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -53.62 -21.03 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.831 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.6 pt -73.0 -30.44 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 128' ' ' THR . 94.9 m-70 -78.37 -52.51 8.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 127' ' ' HIS . 58.4 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp . . . . . 0 C--O 1.23 0.062 0 CA-C-O 121.577 0.703 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -8.32 23.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.632 2.221 . . . . 0.0 112.336 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.537 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 29.0 m-85 -149.88 105.22 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -122.28 140.01 53.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 108' ' ' THR . 33.5 t -88.12 75.39 8.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 107' ' ' CYS . 9.1 t -37.07 -38.18 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -42.33 -59.76 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.809 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 27.9 p -114.09 -41.73 3.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.54 11.78 2.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -72.22 116.09 12.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.5 p -93.0 163.0 13.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.811 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -151.59 172.32 16.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -91.65 -42.46 10.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.485 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -118.86 157.67 27.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.043 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 18.9 tptp -55.53 -60.53 3.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 119' ' ' ASN . . . -40.59 -63.96 1.3 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.494 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 118' ' ' GLY . 12.5 m120 -37.9 -50.27 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.917 0.389 . . . . 0.0 110.914 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 14.4 tp -66.42 -49.51 66.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 117' ' ' LYS . 88.7 t -46.39 -48.53 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -60.23 -32.78 71.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.825 ' O ' HG23 ' A' ' 126' ' ' ILE . 23.7 t60 -71.07 -47.39 58.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -51.82 -31.68 28.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -53.59 -21.19 6.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.825 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.5 pt -73.37 -29.26 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.45 ' O ' ' C ' ' A' ' 128' ' ' THR . 94.8 m-70 -81.73 -50.45 9.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 127' ' ' HIS . 57.9 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.581 0.705 . . . . 0.0 110.874 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.405 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.3 Cg_endo -69.74 -9.06 25.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 27.4 m-85 -148.8 110.91 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -123.31 144.48 49.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 108' ' ' THR . 22.8 t -91.14 72.77 6.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 107' ' ' CYS . 9.8 t -34.24 -37.59 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.176 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' HIS . . . . . 0.403 ' N ' ' O ' ' A' ' 107' ' ' CYS . 98.9 m-70 -43.11 -59.05 2.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.5 p -113.61 -43.69 3.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 131.24 6.89 3.34 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -67.68 116.19 8.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.0 p -92.89 156.28 17.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.428 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 89.0 m-85 -145.47 165.05 29.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 9.0 tpt85 -88.25 -43.22 11.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -113.54 154.13 27.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.584 ' O ' HG23 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -56.77 -54.55 44.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -47.15 -60.46 5.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -39.92 -48.88 2.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.428 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 14.5 tp -67.95 -49.81 59.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 117' ' ' LYS . 90.5 t -46.04 -46.31 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -63.52 -33.4 75.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.789 ' O ' HG23 ' A' ' 126' ' ' ILE . 24.5 t60 -67.69 -47.33 69.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.821 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -51.27 -32.0 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -52.85 -24.34 8.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.789 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.2 pt -70.64 -34.94 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.069 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 128' ' ' THR . 87.2 m-70 -71.38 -54.03 12.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 127' ' ' HIS . 58.5 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? . . . . . 0 C--O 1.23 0.057 0 CA-C-O 121.622 0.725 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.505 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.9 Cg_endo -69.74 -6.72 19.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 23.2 m-85 -147.79 105.74 3.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -121.33 139.43 53.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 108' ' ' THR . 18.7 t -85.96 76.33 9.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 107' ' ' CYS . 9.7 t -34.77 -40.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -42.07 -58.58 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.794 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.8 p -114.65 -42.97 3.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 126.97 16.05 2.47 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -74.34 115.9 14.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.794 0.331 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 88.8 p -90.54 161.54 15.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.434 ' CD1' HD13 ' A' ' 120' ' ' LEU . 89.5 m-85 -151.17 167.39 27.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.8 mtm180 -83.94 -44.21 14.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.539 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -120.11 160.07 23.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -55.75 -61.02 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 119' ' ' ASN . . . -39.47 -68.16 0.54 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 118' ' ' GLY . 4.1 m120 -34.49 -46.35 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.362 . . . . 0.0 110.883 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.434 HD13 ' CD1' ' A' ' 114' ' ' PHE . 18.7 tp -69.4 -48.89 59.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.3 t -46.87 -46.54 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.4 m -62.12 -33.43 74.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.825 ' O ' HG23 ' A' ' 126' ' ' ILE . 19.8 t60 -68.49 -47.81 66.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -50.5 -33.76 22.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -50.97 -25.44 4.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.825 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.5 pt -68.68 -31.85 52.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 128' ' ' THR . 92.2 m-70 -77.18 -50.39 13.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 127' ' ' HIS . 60.7 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.421 ' HE2' ' C ' ' A' ' 114' ' ' PHE . 10.8 mtpp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.547 0.689 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.431 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.5 Cg_endo -69.81 -6.75 19.36 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.647 2.232 . . . . 0.0 112.345 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 20.7 m-85 -150.76 106.84 3.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -123.93 144.52 49.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 109' ' ' HIS . 8.7 t -88.38 72.79 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.2 t -36.39 -29.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 107' ' ' CYS . 60.6 m-70 -52.21 -57.1 10.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.825 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.9 p -115.12 -42.57 3.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.99 13.69 2.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -74.46 116.58 15.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 97.1 p -91.85 157.56 16.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.52 ' CD1' HD13 ' A' ' 120' ' ' LEU . 88.0 m-85 -147.04 169.16 19.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -88.04 -46.65 9.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -116.04 151.47 35.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 20.5 tptt -50.48 -60.03 3.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -40.55 -62.11 1.69 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -40.04 -53.04 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.381 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.52 HD13 ' CD1' ' A' ' 114' ' ' PHE . 15.6 tp -63.21 -48.38 78.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 117' ' ' LYS . 97.4 t -47.3 -49.88 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.6 m -58.94 -35.34 72.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.888 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.2 t60 -66.68 -48.97 67.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -50.64 -35.06 28.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 125' ' ' ARG . 12.1 mtp-105 -50.17 -21.25 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.888 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.1 pt -71.75 -34.22 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -74.1 -65.06 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 -179.909 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.456 ' HD3' ' CB ' ' A' ' 113' ' ' SER . 2.6 mptp? . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.59 0.709 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -12.88 33.85 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.723 2.282 . . . . 0.0 112.309 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.504 ' CE2' ' HA ' ' A' ' 116' ' ' ALA . 31.2 m-85 -146.03 107.25 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -121.97 139.68 53.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 109' ' ' HIS . 8.9 t -84.12 75.57 10.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.8 t -38.22 -28.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.159 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 107' ' ' CYS . 83.9 m-70 -54.39 -49.65 69.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.8 p -122.62 -42.04 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.33 9.22 3.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -69.87 116.48 10.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.35 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.456 ' CB ' ' HD3' ' A' ' 103' ' ' LYS . 87.5 p -91.48 162.47 14.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 113' ' ' SER . 75.5 m-85 -151.24 175.84 11.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -93.98 -44.13 8.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.504 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -118.43 159.8 22.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.528 ' O ' HG23 ' A' ' 121' ' ' VAL . 21.3 tptp -56.77 -58.44 8.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -43.15 -61.93 2.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -38.37 -51.12 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.417 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 13.8 tp -66.43 -51.06 60.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 117' ' ' LYS . 99.0 t -44.71 -47.11 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -61.67 -33.76 74.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.824 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.3 t60 -69.88 -47.72 61.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -50.97 -32.51 21.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -52.3 -25.12 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.824 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.9 pt -68.26 -32.5 56.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 128' ' ' THR . 93.1 m-70 -75.09 -53.18 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 127' ' ' HIS . 61.3 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 114' ' ' PHE . 14.3 mtpp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.608 0.718 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.479 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.3 Cg_endo -69.78 -9.31 25.78 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 20.9 m-85 -147.28 105.68 3.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -121.23 150.86 40.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 108' ' ' THR . 22.5 t -94.39 73.97 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 107' ' ' CYS . 4.6 t -35.43 -37.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -46.13 -55.85 6.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.5 p -116.52 -44.84 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 132.28 7.81 2.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -65.67 119.13 10.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.786 0.327 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.3 p -95.91 160.47 14.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.85 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.462 ' N ' ' HD3' ' A' ' 103' ' ' LYS . 84.4 m-85 -150.81 170.27 19.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 -88.72 -44.84 10.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.523 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -117.24 156.78 27.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 27.9 tttt -53.88 -66.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -35.83 -52.51 1.15 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -47.13 -47.74 23.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.853 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.0 tp -71.98 -48.55 44.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.3 t -47.71 -44.23 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.4 m -66.65 -32.0 73.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.796 ' O ' HG23 ' A' ' 126' ' ' ILE . 27.5 t60 -70.1 -47.12 63.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -51.66 -31.31 25.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 56.1 mtt-85 -53.66 -22.24 8.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.796 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.3 pt -73.5 -28.31 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 128' ' ' THR . 89.4 m-70 -79.36 -52.01 8.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 127' ' ' HIS . 60.0 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.6 mttm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.577 0.703 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.416 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.8 Cg_endo -69.76 -5.8 17.07 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.689 2.26 . . . . 0.0 112.339 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.553 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 44.9 m-85 -147.7 106.48 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -122.97 141.1 52.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 108' ' ' THR . 17.3 t -88.94 74.95 8.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 107' ' ' CYS . 6.6 t -35.47 -39.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -41.91 -59.25 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.3 p -114.34 -43.69 3.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 130.04 12.62 2.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -72.66 116.32 12.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.766 0.317 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 78.7 p -93.02 158.95 15.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.517 ' CD1' HD13 ' A' ' 120' ' ' LEU . 88.3 m-85 -148.75 166.09 29.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -83.05 -47.24 11.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.453 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -116.73 157.04 26.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 21.0 tttm -53.81 -66.53 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -34.5 -62.99 0.49 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.486 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -39.99 -49.44 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.517 HD13 ' CD1' ' A' ' 114' ' ' PHE . 19.3 tp -68.27 -50.41 53.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 68.1 t -45.13 -45.26 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.3 m -63.84 -34.7 78.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.876 ' O ' HG23 ' A' ' 126' ' ' ILE . 17.9 t60 -65.89 -48.07 72.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -50.73 -34.68 27.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 125' ' ' ARG . 9.0 mtp-105 -50.44 -21.27 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.876 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.9 pt -72.52 -32.47 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 128' ' ' THR . 95.0 m-70 -76.75 -51.45 11.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 127' ' ' HIS . 72.4 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.8 mptt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 121.574 0.702 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -11.48 30.9 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 41.0 m-85 -146.22 105.03 3.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -122.77 139.11 54.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 108' ' ' THR . 20.6 t -87.0 73.98 9.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 107' ' ' CYS . 7.7 t -34.09 -39.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -41.69 -61.18 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.1 p -111.58 -43.82 3.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.4 17.38 1.96 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.4 tptt -76.3 116.66 17.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 53.3 p -93.2 158.65 15.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 88.9 m-85 -148.34 169.34 20.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -85.66 -45.5 11.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.475 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -116.51 169.35 9.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.088 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 18.0 tttt -65.12 -66.29 0.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -35.16 -61.35 0.66 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.451 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -39.72 -51.58 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.357 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.43 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 13.6 tp -67.65 -48.99 65.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 92.7 t -46.81 -46.47 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.4 m -63.98 -34.26 77.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.88 ' O ' HG23 ' A' ' 126' ' ' ILE . 15.7 t60 -65.44 -47.43 76.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.806 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -50.44 -34.86 26.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.968 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 40.4 mtp85 -50.07 -22.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.88 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.4 pt -70.55 -34.02 55.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 128' ' ' THR . 94.4 m-70 -75.64 -50.17 16.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 127' ' ' HIS . 71.7 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 mptt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.589 0.709 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -15.45 37.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.337 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' A' ' 116' ' ' ALA . 26.6 m-85 -144.73 105.85 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -123.31 140.87 52.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 108' ' ' THR . 15.0 t -87.04 72.65 10.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 107' ' ' CYS . 10.1 t -34.12 -38.32 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.152 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -42.55 -59.94 1.71 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.7 p -112.39 -43.97 3.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.07 17.93 1.76 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -78.03 115.66 17.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.319 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.0 p -89.93 162.85 15.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -151.81 174.68 13.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -91.76 -47.42 7.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.808 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.567 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -114.48 174.03 6.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.049 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.641 ' O ' HG23 ' A' ' 121' ' ' VAL . 12.8 tptm -69.99 -52.38 24.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -48.25 -60.13 5.9 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -40.2 -50.82 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 16.0 tp -65.93 -51.46 58.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 117' ' ' LYS . 86.6 t -45.34 -47.65 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.4 m -61.04 -32.75 72.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.901 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.4 t60 -70.88 -47.89 56.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -50.52 -35.1 27.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -50.07 -21.28 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.901 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.2 pt -72.43 -33.15 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 128' ' ' THR . 92.5 m-70 -73.94 -53.35 10.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 127' ' ' HIS . 72.2 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.592 0.71 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.42 ' O ' ' CD1' ' A' ' 105' ' ' PHE . 53.8 Cg_endo -69.72 -6.01 17.55 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.709 2.272 . . . . 0.0 112.324 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.444 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 27.4 m-85 -154.4 105.0 2.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -121.46 144.15 48.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 108' ' ' THR . 23.5 t -91.55 74.02 5.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 107' ' ' CYS . 10.1 t -35.7 -38.48 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.159 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -42.65 -60.22 1.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 28.2 p -112.86 -43.1 3.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.15 14.49 2.21 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -74.58 117.39 16.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.735 0.302 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.404 ' C ' ' CD1' ' A' ' 114' ' ' PHE . 85.3 p -94.47 161.51 14.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 113' ' ' SER . 80.0 m-85 -150.69 173.17 14.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 -93.47 -41.47 9.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.415 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -116.86 159.68 22.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.599 ' O ' HG23 ' A' ' 121' ' ' VAL . 15.9 tptm -60.33 -54.65 43.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -46.68 -58.54 5.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -41.78 -50.83 4.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.6 tp -66.03 -48.4 71.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 117' ' ' LYS . 89.6 t -47.35 -47.07 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -62.47 -33.01 73.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.169 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.848 ' O ' HG23 ' A' ' 126' ' ' ILE . 21.2 t60 -69.68 -47.83 61.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -51.9 -31.74 29.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -53.76 -19.35 4.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.848 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.8 pt -74.5 -31.85 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -80.57 -45.16 17.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 80.6 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -179.929 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.427 ' HD3' ' C ' ' A' ' 114' ' ' PHE . 19.9 mttp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.529 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.9 Cg_endo -69.75 -4.83 14.81 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.737 2.291 . . . . 0.0 112.339 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.544 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 30.4 m-85 -145.21 106.96 4.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -125.45 141.64 51.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 108' ' ' THR . 19.2 t -91.19 71.91 6.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 107' ' ' CYS . 7.4 t -36.77 -34.54 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -44.97 -57.87 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.9 p -114.86 -42.09 3.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 130.17 10.58 2.72 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -73.03 116.62 13.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.319 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 97.2 p -93.06 159.58 15.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.427 ' C ' ' HD3' ' A' ' 103' ' ' LYS . 85.4 m-85 -149.3 163.71 36.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.0 ttt-85 -87.33 -42.81 12.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -116.59 159.34 22.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.544 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 11.2 tptp -57.85 -61.94 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -39.71 -62.22 1.44 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -39.43 -48.78 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.16 -50.65 53.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 117' ' ' LYS . 65.0 t -45.53 -48.01 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.4 m -60.4 -34.05 73.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.802 ' O ' HG23 ' A' ' 126' ' ' ILE . 27.3 t60 -70.27 -47.5 60.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -51.31 -31.81 22.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -53.04 -23.87 8.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.802 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.3 pt -71.39 -30.47 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 128' ' ' THR . 90.6 m-70 -78.46 -52.15 8.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.834 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 127' ' ' HIS . 65.9 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.465 ' N ' ' HE2' ' A' ' 103' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.57 0.7 . . . . 0.0 110.858 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.401 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.6 Cg_endo -69.78 -14.46 36.04 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.504 ' CE2' ' HA ' ' A' ' 116' ' ' ALA . 23.9 m-85 -145.59 105.01 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -122.39 145.29 48.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 109' ' ' HIS . 9.4 t -88.98 76.09 7.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.9 t -40.67 -26.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 107' ' ' CYS . 96.8 m-70 -54.31 -58.87 5.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.854 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.1 p -112.31 -43.11 3.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 130.02 13.01 2.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.1 tptt -74.81 115.74 14.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.742 0.306 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 58.1 p -91.89 159.34 15.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -147.63 170.81 16.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 -88.76 -45.17 10.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.504 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -116.04 169.1 9.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.468 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 18.1 tttt -64.77 -63.65 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 119' ' ' ASN . . . -38.08 -62.89 0.98 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 118' ' ' GLY . 5.2 t-20 -37.66 -51.98 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.367 . . . . 0.0 110.874 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.415 HD23 ' HB3' ' A' ' 105' ' ' PHE . 14.1 tp -67.34 -51.65 49.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.1 t -45.02 -45.02 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -65.44 -33.41 75.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.855 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.0 t60 -67.84 -47.53 68.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.799 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -51.36 -33.0 27.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 47.2 mtp85 -52.32 -20.42 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.855 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.8 pt -73.44 -31.39 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 128' ' ' THR . 93.3 m-70 -77.02 -51.88 10.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 127' ' ' HIS . 72.8 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.9 mptt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.59 0.71 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -5.81 17.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.335 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 39.0 m-85 -151.65 105.0 3.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -124.89 146.57 49.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 108' ' ' THR . 15.0 t -91.72 74.68 5.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 107' ' ' CYS . 8.1 t -33.79 -39.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.159 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -42.84 -59.38 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.0 p -112.99 -44.62 3.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.6 14.85 2.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -72.88 116.25 13.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.74 0.305 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.1 p -92.25 159.72 15.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.409 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 91.5 m-85 -149.14 177.98 9.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -95.02 -44.6 7.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.508 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -117.4 157.72 25.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 18.5 tptp -54.5 -58.18 8.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -43.44 -54.95 5.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -44.17 -52.06 7.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.409 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 10.8 tp -65.63 -48.81 70.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 117' ' ' LYS . 61.9 t -47.42 -51.56 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -57.58 -35.4 70.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.887 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.7 t60 -67.15 -48.08 69.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -50.94 -34.08 27.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -51.31 -19.27 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.887 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.3 pt -74.52 -32.59 30.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 128' ' ' THR . 93.1 m-70 -74.29 -54.2 8.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 127' ' ' HIS . 64.3 p . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 53.3 mttt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 121.569 0.699 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -6.62 19.0 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.363 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.541 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 43.2 m-85 -148.75 106.05 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -123.87 143.4 50.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 108' ' ' THR . 18.6 t -90.86 72.65 6.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 107' ' ' CYS . 9.9 t -33.96 -38.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -42.75 -60.76 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.2 p -111.87 -43.84 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.25 17.01 1.84 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -76.82 117.64 18.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 82.6 p -93.83 158.38 15.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.446 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 89.8 m-85 -148.8 164.74 33.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 39.4 mtt85 -82.67 -46.99 12.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.432 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -117.34 154.2 31.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.541 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 4.5 ttpm? -50.72 -65.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -34.27 -62.98 0.46 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -39.91 -50.04 2.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.36 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.446 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 15.2 tp -68.42 -51.67 41.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.9 t -44.12 -46.42 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.3 m -62.93 -33.43 75.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.894 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.0 t60 -69.79 -47.68 61.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -51.42 -32.64 27.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 125' ' ' ARG . 14.4 mtp-105 -53.12 -17.93 1.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.894 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.6 pt -75.39 -30.38 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 128' ' ' THR . 96.5 m-70 -79.9 -50.72 10.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 127' ' ' HIS . 59.4 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.61 0.719 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.502 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.3 Cg_endo -69.79 -5.95 17.46 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.718 2.278 . . . . 0.0 112.326 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 22.4 m-85 -147.97 105.15 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -122.49 145.91 47.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 108' ' ' THR . 36.0 t -91.02 80.03 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 107' ' ' CYS . 10.2 t -36.41 -40.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' HIS . . . . . 0.406 ' N ' HG23 ' A' ' 108' ' ' THR . 53.8 m80 -41.95 -64.76 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.4 p -109.29 -43.7 4.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 107' ' ' CYS . . . 129.06 13.84 2.34 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.471 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -69.34 115.67 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 90.6 p -91.13 162.14 14.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.573 ' CD1' HD13 ' A' ' 120' ' ' LEU . 88.9 m-85 -151.36 169.93 20.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 -87.79 -42.87 12.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.524 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -122.26 152.71 39.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 13.5 ttpt -48.81 -66.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -34.17 -66.61 0.28 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.436 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 118' ' ' GLY . 10.8 t-20 -36.7 -49.62 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.353 . . . . 0.0 110.868 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.573 HD13 ' CD1' ' A' ' 114' ' ' PHE . 19.9 tp -68.87 -51.75 36.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.1 t -43.61 -44.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.0 m -65.24 -33.68 76.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.909 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.9 t60 -67.03 -47.49 71.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -50.94 -33.58 25.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -51.93 -18.43 1.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.909 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.7 pt -75.49 -30.61 22.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 128' ' ' THR . 93.9 m-70 -77.38 -51.01 11.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 127' ' ' HIS . 61.0 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.579 0.704 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -10.48 28.71 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.712 2.274 . . . . 0.0 112.337 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.504 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 32.8 m-85 -147.63 106.46 3.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -122.56 141.64 51.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 109' ' ' HIS . 10.1 t -87.79 71.32 9.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 107' ' ' CYS . 4.8 t -34.09 -33.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' HIS . . . . . 0.476 ' N ' ' O ' ' A' ' 107' ' ' CYS . 12.8 m-70 -47.82 -54.62 11.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 24.6 p -117.7 -42.08 2.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 127.2 17.41 2.21 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.527 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.6 tptt -78.3 115.98 18.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 82.7 p -90.26 163.57 14.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.826 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.404 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 90.9 m-85 -152.67 175.4 12.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -95.21 -44.52 7.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.812 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.457 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -117.98 157.48 26.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.554 ' O ' HG23 ' A' ' 121' ' ' VAL . 8.6 tptm -55.08 -54.19 46.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 119' ' ' ASN . . . -46.51 -62.73 3.44 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 118' ' ' GLY . 5.5 m120 -38.03 -49.33 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.404 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 17.5 tp -67.47 -50.11 60.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 117' ' ' LYS . 97.6 t -45.73 -48.11 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.3 m -60.59 -33.32 72.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.891 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.0 t60 -70.44 -47.54 60.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -50.85 -34.03 26.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -51.17 -20.43 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.891 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.2 pt -73.72 -31.49 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 128' ' ' THR . 92.0 m-70 -75.6 -51.02 13.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 127' ' ' HIS . 64.5 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.122 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.595 0.712 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.436 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.2 Cg_endo -69.83 -9.77 26.89 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.296 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.549 ' CE2' ' HA ' ' A' ' 116' ' ' ALA . 28.0 m-85 -146.81 108.65 4.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -123.25 141.65 51.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.42 ' O ' ' N ' ' A' ' 109' ' ' HIS . 13.9 t -87.56 74.37 9.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.4 t -37.1 -32.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 107' ' ' CYS . 95.2 m-70 -48.21 -59.23 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.813 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.9 p -114.83 -41.95 3.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.93 13.11 2.27 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.521 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -74.03 117.39 15.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.0 p -94.12 159.14 15.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.507 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 89.5 m-85 -148.4 168.43 22.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -83.67 -48.43 10.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.549 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -113.87 171.36 7.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.416 ' O ' HG23 ' A' ' 121' ' ' VAL . 13.6 tptp -66.17 -59.78 3.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -43.0 -53.84 5.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.45 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -45.04 -50.98 10.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.507 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 9.2 tp -67.85 -48.69 65.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 117' ' ' LYS . 93.4 t -47.2 -48.09 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.3 m -60.35 -32.28 71.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.115 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.85 ' O ' HG23 ' A' ' 126' ' ' ILE . 19.2 t60 -71.23 -47.3 58.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -51.22 -33.15 26.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 72.8 mtp85 -52.04 -21.16 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.85 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.7 pt -73.19 -30.72 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 128' ' ' THR . 91.7 m-70 -76.82 -51.81 10.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.813 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 127' ' ' HIS . 77.5 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.426 ' NZ ' ' HG2' ' A' ' 115' ' ' ARG . 11.7 mtpt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.556 0.693 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.407 ' O ' ' CD1' ' A' ' 105' ' ' PHE . 53.3 Cg_endo -69.8 -5.26 15.82 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.666 2.244 . . . . 0.0 112.329 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 24.4 m-85 -153.47 105.17 2.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -125.29 142.89 51.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 108' ' ' THR . 14.3 t -89.65 71.88 7.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 107' ' ' CYS . 9.6 t -34.4 -39.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -40.52 -60.78 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.1 p -111.22 -43.64 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.23 15.2 2.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.47 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.3 tptt -75.84 115.95 16.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.747 0.308 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 86.9 p -92.15 156.61 17.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.563 ' CD1' HD13 ' A' ' 120' ' ' LEU . 70.0 m-85 -145.47 171.68 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.426 ' HG2' ' NZ ' ' A' ' 103' ' ' LYS . 7.7 mmm-85 -91.94 -44.48 8.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -114.36 157.78 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.083 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.641 ' O ' HG23 ' A' ' 121' ' ' VAL . 39.8 tptt -58.86 -52.62 64.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -49.77 -62.59 4.78 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.527 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -39.28 -45.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.563 HD13 ' CD1' ' A' ' 114' ' ' PHE . 13.8 tp -69.85 -47.81 61.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 117' ' ' LYS . 99.3 t -48.46 -47.35 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.0 m -60.18 -34.33 73.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.92 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.7 t60 -67.5 -48.38 67.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -50.34 -35.49 28.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -49.86 -19.77 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.92 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.5 pt -73.93 -34.35 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 128' ' ' THR . 93.1 m-70 -73.19 -53.24 11.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 127' ' ' HIS . 60.9 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.177 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 37.5 mttt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.561 0.695 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.445 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.8 Cg_endo -69.81 -5.92 17.38 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.318 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.506 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 24.0 m-85 -150.41 106.94 3.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -122.82 142.82 50.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.0 t -87.69 75.66 8.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.1 t -37.35 -34.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -47.74 -58.02 4.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.6 p -114.73 -43.63 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 130.05 12.05 2.44 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -72.39 116.59 13.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 90.6 p -90.86 159.96 15.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.409 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 87.0 m-85 -149.24 164.74 33.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -83.42 -48.38 10.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.446 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -114.05 157.7 22.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.506 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 29.3 tptt -54.55 -66.16 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -36.1 -62.75 0.7 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.451 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 118' ' ' GLY . 69.5 m-20 -37.95 -51.34 1.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.88 0.371 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.409 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 12.4 tp -66.38 -50.46 63.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.9 t -45.74 -47.09 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -61.85 -35.27 77.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.844 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.3 t60 -66.06 -47.28 74.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -51.22 -33.01 26.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -52.08 -22.27 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.844 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.7 pt -71.81 -32.41 44.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 128' ' ' THR . 91.7 m-70 -75.2 -51.52 13.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 127' ' ' HIS . 61.7 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 82.8 p -69.63 150.77 46.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.1 m -40.42 -53.57 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.01 45.58 1.09 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.513 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.4 m -93.43 114.85 27.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.372 . . . . 0.0 110.904 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.6 p -140.01 171.65 13.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 70.24 76.76 0.5 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.7 p -94.62 -24.07 17.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.356 . . . . 0.0 111.153 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.63 -88.43 0.2 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -160.32 117.67 2.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.904 0.383 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.498 ' CE ' ' O ' ' A' ' 114' ' ' PHE . 12.7 mtpp -99.0 156.63 35.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.618 0.723 . . . . 0.0 110.843 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -7.65 21.61 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.679 2.253 . . . . 0.0 112.372 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' A' ' 116' ' ' ALA . 26.2 m-85 -151.27 107.28 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -123.52 146.57 47.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 108' ' ' THR . 12.8 t -91.91 72.7 5.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 107' ' ' CYS . 5.5 t -34.25 -37.13 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 107' ' ' CYS . 75.1 m-70 -45.23 -58.0 3.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 27.3 p -114.17 -42.83 3.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 127.87 14.98 2.43 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.0 tptt -74.62 116.7 15.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.32 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 85.0 p -91.92 159.39 15.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.498 ' O ' ' CE ' ' A' ' 103' ' ' LYS . 84.7 m-85 -148.56 170.4 18.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -90.45 -43.7 10.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.423 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -117.52 156.64 27.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.514 ' O ' HG23 ' A' ' 121' ' ' VAL . 46.3 tptt -54.83 -58.47 7.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -42.46 -62.75 2.07 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.474 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -38.33 -51.9 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.441 HD13 ' CD1' ' A' ' 114' ' ' PHE . 17.7 tp -65.15 -51.68 59.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 117' ' ' LYS . 93.5 t -44.99 -47.13 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -61.64 -34.82 76.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.831 ' O ' HG23 ' A' ' 126' ' ' ILE . 22.9 t60 -68.74 -47.75 65.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -51.81 -31.68 28.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -53.62 -21.03 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.831 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.6 pt -73.0 -30.44 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 128' ' ' THR . 94.9 m-70 -78.37 -52.51 8.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 127' ' ' HIS . 58.4 p -34.73 145.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -72.7 -54.65 7.2 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -45.92 151.77 0.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.38 . . . . 0.0 110.91 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.86 126.35 23.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 68.4 p -107.54 -41.07 5.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 63.5 146.22 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 -172.46 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.5 t -101.11 -56.93 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 70.5 m -146.4 175.93 10.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.527 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.552 -0.219 . . . . 0.0 112.552 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.4 t -39.85 128.88 2.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 0.0 110.825 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.2 t -42.88 -55.16 3.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.74 107.1 2.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.533 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.3 t -113.46 123.52 50.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.809 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.1 t -55.88 -56.11 24.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.96 -80.5 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.8 t -161.61 157.15 24.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.873 0.368 . . . . 0.0 111.147 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 92.91 137.04 7.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -127.41 148.04 50.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.341 . . . . 0.0 110.927 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -95.47 151.77 38.81 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -8.32 23.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.632 2.221 . . . . 0.0 112.336 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.537 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 29.0 m-85 -149.88 105.22 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -122.28 140.01 53.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 108' ' ' THR . 33.5 t -88.12 75.39 8.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 107' ' ' CYS . 9.1 t -37.07 -38.18 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -42.33 -59.76 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.809 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 27.9 p -114.09 -41.73 3.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.54 11.78 2.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -72.22 116.09 12.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.5 p -93.0 163.0 13.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.811 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -151.59 172.32 16.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -91.65 -42.46 10.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.485 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -118.86 157.67 27.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.043 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 18.9 tptp -55.53 -60.53 3.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 119' ' ' ASN . . . -40.59 -63.96 1.3 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.494 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 118' ' ' GLY . 12.5 m120 -37.9 -50.27 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.917 0.389 . . . . 0.0 110.914 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 14.4 tp -66.42 -49.51 66.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 117' ' ' LYS . 88.7 t -46.39 -48.53 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -60.23 -32.78 71.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.825 ' O ' HG23 ' A' ' 126' ' ' ILE . 23.7 t60 -71.07 -47.39 58.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -51.82 -31.68 28.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -53.59 -21.19 6.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.825 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.5 pt -73.37 -29.26 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.45 ' O ' ' C ' ' A' ' 128' ' ' THR . 94.8 m-70 -81.73 -50.45 9.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 127' ' ' HIS . 57.9 p -34.13 144.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -125.32 63.52 0.58 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.457 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.434 ' O ' ' CD ' ' A' ' 130' ' ' GLU . 2.2 pp20? -110.71 41.2 1.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 110.918 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -150.25 143.4 24.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 133' ' ' GLY . 12.0 t -116.68 102.39 9.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 132' ' ' SER . . . 37.98 -158.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 149.58 66.96 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.266 . . . . 0.0 112.304 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 94.7 p -116.4 -21.07 9.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 25.5 p -159.84 126.45 4.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.487 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.6 p -113.22 162.14 16.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.37 . . . . 0.0 110.834 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.6 t -115.16 -43.47 3.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.99 54.73 28.62 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.532 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 40.5 m -127.78 133.57 49.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 110.903 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.6 t -75.19 138.95 42.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 94.94 45.77 3.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.456 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.8 p -108.31 120.76 43.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 111.18 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 171.83 74.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -164.74 157.39 16.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.903 0.382 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -73.07 144.83 85.43 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.581 0.705 . . . . 0.0 110.874 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.405 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.3 Cg_endo -69.74 -9.06 25.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 27.4 m-85 -148.8 110.91 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -123.31 144.48 49.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 108' ' ' THR . 22.8 t -91.14 72.77 6.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 107' ' ' CYS . 9.8 t -34.24 -37.59 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.176 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.403 ' N ' ' O ' ' A' ' 107' ' ' CYS . 98.9 m-70 -43.11 -59.05 2.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.5 p -113.61 -43.69 3.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 131.24 6.89 3.34 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -67.68 116.19 8.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.0 p -92.89 156.28 17.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.428 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 89.0 m-85 -145.47 165.05 29.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 9.0 tpt85 -88.25 -43.22 11.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -113.54 154.13 27.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.584 ' O ' HG23 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -56.77 -54.55 44.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -47.15 -60.46 5.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -39.92 -48.88 2.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.428 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 14.5 tp -67.95 -49.81 59.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 117' ' ' LYS . 90.5 t -46.04 -46.31 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -63.52 -33.4 75.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.789 ' O ' HG23 ' A' ' 126' ' ' ILE . 24.5 t60 -67.69 -47.33 69.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.821 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -51.27 -32.0 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -52.85 -24.34 8.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.789 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.2 pt -70.64 -34.94 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.069 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 128' ' ' THR . 87.2 m-70 -71.38 -54.03 12.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 127' ' ' HIS . 58.5 p -35.28 143.14 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -102.65 86.5 0.56 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.454 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -132.68 168.03 19.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -139.29 146.21 40.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 30.1 m -89.86 130.06 36.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 168.39 -168.42 40.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 123.92 10.57 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.698 2.265 . . . . 0.0 112.369 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 96.5 p -111.92 160.75 17.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 94.7 p -122.64 41.8 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.495 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.9 m -100.98 -58.61 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.883 0.373 . . . . 0.0 110.907 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.5 t -75.98 96.45 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -165.88 103.44 0.21 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.3 p -66.42 -46.61 75.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.36 . . . . 0.0 110.9 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.4 p -59.15 139.99 56.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -114.64 164.45 12.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.2 m -139.93 128.85 23.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 173.13 -130.93 1.97 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -141.54 116.84 10.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.895 0.379 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -126.01 149.13 65.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.622 0.725 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.505 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.9 Cg_endo -69.74 -6.72 19.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 23.2 m-85 -147.79 105.74 3.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -121.33 139.43 53.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 108' ' ' THR . 18.7 t -85.96 76.33 9.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 107' ' ' CYS . 9.7 t -34.77 -40.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -42.07 -58.58 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.794 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.8 p -114.65 -42.97 3.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 126.97 16.05 2.47 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -74.34 115.9 14.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.794 0.331 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 88.8 p -90.54 161.54 15.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.434 ' CD1' HD13 ' A' ' 120' ' ' LEU . 89.5 m-85 -151.17 167.39 27.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.8 mtm180 -83.94 -44.21 14.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.539 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -120.11 160.07 23.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -55.75 -61.02 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 119' ' ' ASN . . . -39.47 -68.16 0.54 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 118' ' ' GLY . 4.1 m120 -34.49 -46.35 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.362 . . . . 0.0 110.883 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.434 HD13 ' CD1' ' A' ' 114' ' ' PHE . 18.7 tp -69.4 -48.89 59.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.3 t -46.87 -46.54 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.4 m -62.12 -33.43 74.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.825 ' O ' HG23 ' A' ' 126' ' ' ILE . 19.8 t60 -68.49 -47.81 66.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -50.5 -33.76 22.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -50.97 -25.44 4.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.825 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.5 pt -68.68 -31.85 52.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 128' ' ' THR . 92.2 m-70 -77.18 -50.39 13.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 127' ' ' HIS . 60.7 p -36.75 -48.88 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 51.63 52.46 33.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.468 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.42 ' O ' ' CD ' ' A' ' 130' ' ' GLU . 0.5 OUTLIER -72.37 -25.31 61.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.913 0.387 . . . . 0.0 110.907 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.08 158.67 42.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 87.7 p -40.87 107.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.69 164.66 34.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 0.12 6.09 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 12.5 m -96.91 109.94 22.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.816 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 19.8 m -71.96 -45.18 61.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 91.2 p -70.09 147.13 50.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 0.0 110.86 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.3 t -78.75 -44.3 23.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -143.99 107.91 0.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 66.2 m -72.22 160.5 32.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.877 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.3 p -120.84 124.49 45.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 133.88 146.56 5.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.457 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.2 t -118.78 -14.72 9.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.328 . . . . 0.0 111.15 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.9 165.66 25.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.451 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.491 ' N ' ' OE1' ' A' ' 102' ' ' GLN . 5.1 pm0 -123.87 137.66 54.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 110.914 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.421 ' HE2' ' C ' ' A' ' 114' ' ' PHE . 10.8 mtpp -118.99 156.06 52.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.547 0.689 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.431 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.5 Cg_endo -69.81 -6.75 19.36 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.647 2.232 . . . . 0.0 112.345 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 20.7 m-85 -150.76 106.84 3.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -123.93 144.52 49.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 109' ' ' HIS . 8.7 t -88.38 72.79 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.2 t -36.39 -29.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 107' ' ' CYS . 60.6 m-70 -52.21 -57.1 10.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.825 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.9 p -115.12 -42.57 3.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.99 13.69 2.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -74.46 116.58 15.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 97.1 p -91.85 157.56 16.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.52 ' CD1' HD13 ' A' ' 120' ' ' LEU . 88.0 m-85 -147.04 169.16 19.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -88.04 -46.65 9.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -116.04 151.47 35.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 20.5 tptt -50.48 -60.03 3.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -40.55 -62.11 1.69 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -40.04 -53.04 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.381 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.52 HD13 ' CD1' ' A' ' 114' ' ' PHE . 15.6 tp -63.21 -48.38 78.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 117' ' ' LYS . 97.4 t -47.3 -49.88 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.6 m -58.94 -35.34 72.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.888 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.2 t60 -66.68 -48.97 67.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -50.64 -35.06 28.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 125' ' ' ARG . 12.1 mtp-105 -50.17 -21.25 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.888 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.1 pt -71.75 -34.22 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -74.1 -65.06 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 129' ' ' GLY . 6.7 t -74.45 -46.04 42.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.467 ' N ' HG23 ' A' ' 128' ' ' THR . . . 41.65 38.62 2.3 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.446 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -113.73 39.51 2.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.919 0.39 . . . . 0.0 110.865 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -76.17 -55.33 5.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 92.1 p -103.38 141.75 35.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -158.05 -69.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.448 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -2.94 11.08 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.713 2.276 . . . . 0.0 112.326 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.6 m -67.99 108.52 3.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 52.7 p -106.57 152.45 23.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.6 m -99.62 -61.27 1.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.879 0.371 . . . . 0.0 110.824 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.5 m -97.85 -55.13 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 119.52 -167.62 13.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.5 m -128.21 155.44 44.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.4 t -64.62 115.2 4.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 97.66 144.99 18.2 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 96.0 m -130.84 123.13 28.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.86 0.362 . . . . 0.0 111.097 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 172.64 -137.01 3.99 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -158.95 137.75 11.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.883 0.373 . . . . 0.0 110.892 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.456 ' HD3' ' CB ' ' A' ' 113' ' ' SER . 2.6 mptp? -129.47 153.42 80.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.59 0.709 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -12.88 33.85 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.723 2.282 . . . . 0.0 112.309 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.504 ' CE2' ' HA ' ' A' ' 116' ' ' ALA . 31.2 m-85 -146.03 107.25 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -121.97 139.68 53.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 109' ' ' HIS . 8.9 t -84.12 75.57 10.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.8 t -38.22 -28.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.159 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 107' ' ' CYS . 83.9 m-70 -54.39 -49.65 69.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.8 p -122.62 -42.04 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.33 9.22 3.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -69.87 116.48 10.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.35 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.456 ' CB ' ' HD3' ' A' ' 103' ' ' LYS . 87.5 p -91.48 162.47 14.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 113' ' ' SER . 75.5 m-85 -151.24 175.84 11.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -93.98 -44.13 8.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.504 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -118.43 159.8 22.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.528 ' O ' HG23 ' A' ' 121' ' ' VAL . 21.3 tptp -56.77 -58.44 8.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -43.15 -61.93 2.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -38.37 -51.12 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.417 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 13.8 tp -66.43 -51.06 60.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 117' ' ' LYS . 99.0 t -44.71 -47.11 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -61.67 -33.76 74.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.824 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.3 t60 -69.88 -47.72 61.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -50.97 -32.51 21.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -52.3 -25.12 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.824 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.9 pt -68.26 -32.5 56.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 128' ' ' THR . 93.1 m-70 -75.09 -53.18 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 127' ' ' HIS . 61.3 p -34.89 143.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -144.91 70.48 0.38 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.462 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -111.85 45.72 1.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.383 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -81.04 49.47 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 54.6 p -90.62 151.46 21.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 116.39 170.34 15.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 112.29 3.03 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.338 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 58.4 m -79.14 122.44 26.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.7 t -150.21 120.06 7.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.485 -179.945 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.6 t -92.66 151.65 19.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.83 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.5 t -103.15 -53.36 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.56 95.13 2.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.3 p -169.9 150.57 3.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.5 t -120.58 116.44 25.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -108.22 -147.16 12.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.9 p -48.36 175.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 111.132 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.09 -62.12 1.61 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.461 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -145.67 155.08 42.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 114' ' ' PHE . 14.3 mtpp -130.45 155.11 81.54 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.479 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.3 Cg_endo -69.78 -9.31 25.78 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 20.9 m-85 -147.28 105.68 3.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -121.23 150.86 40.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 108' ' ' THR . 22.5 t -94.39 73.97 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 107' ' ' CYS . 4.6 t -35.43 -37.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -46.13 -55.85 6.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.5 p -116.52 -44.84 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 132.28 7.81 2.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -65.67 119.13 10.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.786 0.327 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.3 p -95.91 160.47 14.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.85 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.462 ' N ' ' HD3' ' A' ' 103' ' ' LYS . 84.4 m-85 -150.81 170.27 19.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 -88.72 -44.84 10.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.523 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -117.24 156.78 27.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 27.9 tttt -53.88 -66.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -35.83 -52.51 1.15 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -47.13 -47.74 23.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.853 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.0 tp -71.98 -48.55 44.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.3 t -47.71 -44.23 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.4 m -66.65 -32.0 73.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.796 ' O ' HG23 ' A' ' 126' ' ' ILE . 27.5 t60 -70.1 -47.12 63.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -51.66 -31.31 25.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 56.1 mtt-85 -53.66 -22.24 8.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.796 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.3 pt -73.5 -28.31 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 128' ' ' THR . 89.4 m-70 -79.36 -52.01 8.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 127' ' ' HIS . 60.0 p -35.79 113.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -83.65 51.11 4.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -73.24 -59.53 2.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 50.4 mttt -84.23 39.94 0.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 64.6 p -72.08 163.76 27.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -99.61 146.03 17.74 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.467 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 158.57 56.48 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.365 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 136' ' ' SER . 31.3 t -72.5 -44.0 62.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 135' ' ' SER . 50.7 p 36.56 43.23 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.7 m -118.74 149.26 41.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.339 . . . . 0.0 110.908 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.5 p -107.17 -8.59 16.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.76 -171.39 51.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.437 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.3 t -75.39 98.79 3.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.832 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.2 p -143.36 124.16 14.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.58 176.84 21.77 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.0 t -85.49 154.36 21.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.807 0.337 . . . . 0.0 111.12 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.24 -172.19 44.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -122.84 146.65 47.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.88 0.371 . . . . 0.0 110.925 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -101.01 161.56 23.33 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.577 0.703 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.416 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.8 Cg_endo -69.76 -5.8 17.07 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.689 2.26 . . . . 0.0 112.339 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.553 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 44.9 m-85 -147.7 106.48 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -122.97 141.1 52.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 108' ' ' THR . 17.3 t -88.94 74.95 8.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 107' ' ' CYS . 6.6 t -35.47 -39.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -41.91 -59.25 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.3 p -114.34 -43.69 3.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 130.04 12.62 2.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -72.66 116.32 12.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.766 0.317 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 78.7 p -93.02 158.95 15.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.517 ' CD1' HD13 ' A' ' 120' ' ' LEU . 88.3 m-85 -148.75 166.09 29.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -83.05 -47.24 11.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.453 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -116.73 157.04 26.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 21.0 tttm -53.81 -66.53 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -34.5 -62.99 0.49 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.486 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -39.99 -49.44 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.517 HD13 ' CD1' ' A' ' 114' ' ' PHE . 19.3 tp -68.27 -50.41 53.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 68.1 t -45.13 -45.26 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.3 m -63.84 -34.7 78.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.876 ' O ' HG23 ' A' ' 126' ' ' ILE . 17.9 t60 -65.89 -48.07 72.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -50.73 -34.68 27.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 125' ' ' ARG . 9.0 mtp-105 -50.44 -21.27 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.876 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.9 pt -72.52 -32.47 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 128' ' ' THR . 95.0 m-70 -76.75 -51.45 11.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 127' ' ' HIS . 72.4 p -35.32 140.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -71.29 -101.92 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 61.79 41.67 11.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.906 0.384 . . . . 0.0 110.899 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -117.84 97.53 5.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.2 m -43.27 140.07 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 75.62 148.38 2.07 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 146.1 59.1 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.718 2.278 . . . . 0.0 112.307 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 50.1 p -136.43 161.43 35.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 41.0 m -95.09 -53.41 3.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.7 m -43.16 -56.0 3.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 110.844 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.2 m -101.49 91.25 4.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -162.55 80.1 0.14 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.3 m -83.17 -51.76 7.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 110.904 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.7 p -111.29 148.52 32.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.37 -143.01 11.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.446 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 33.4 p -52.16 176.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 111.145 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -156.45 118.63 0.85 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -137.13 105.47 5.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.895 0.379 . . . . 0.0 110.899 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -131.37 153.0 81.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.574 0.702 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -11.48 30.9 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 41.0 m-85 -146.22 105.03 3.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -122.77 139.11 54.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 108' ' ' THR . 20.6 t -87.0 73.98 9.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 107' ' ' CYS . 7.7 t -34.09 -39.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -41.69 -61.18 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.1 p -111.58 -43.82 3.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.4 17.38 1.96 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.4 tptt -76.3 116.66 17.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 53.3 p -93.2 158.65 15.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 88.9 m-85 -148.34 169.34 20.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -85.66 -45.5 11.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.475 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -116.51 169.35 9.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.088 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 18.0 tttt -65.12 -66.29 0.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -35.16 -61.35 0.66 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.451 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -39.72 -51.58 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.357 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.43 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 13.6 tp -67.65 -48.99 65.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 92.7 t -46.81 -46.47 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.4 m -63.98 -34.26 77.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.88 ' O ' HG23 ' A' ' 126' ' ' ILE . 15.7 t60 -65.44 -47.43 76.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.806 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -50.44 -34.86 26.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.968 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 40.4 mtp85 -50.07 -22.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.88 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.4 pt -70.55 -34.02 55.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 128' ' ' THR . 94.4 m-70 -75.64 -50.17 16.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 127' ' ' HIS . 71.7 p -36.6 110.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -83.72 40.8 2.9 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -110.48 97.74 7.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.912 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.25 142.72 16.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 31.6 t -119.58 101.2 7.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -162.08 -158.24 9.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -7.61 21.5 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.329 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.2 t 39.26 47.02 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 68.4 m -63.57 -54.41 36.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 t -78.66 105.16 9.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.914 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 36.3 t -148.03 117.7 7.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.822 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -108.97 -131.28 6.29 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 53.2 p -157.91 134.39 9.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.83 0.348 . . . . 0.0 110.875 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.4 p -39.04 -51.91 1.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 128.11 -111.36 1.27 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 31.5 p -85.16 173.17 10.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 111.159 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 175.25 -99.59 0.14 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.18 160.04 21.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.897 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -125.92 159.05 63.56 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -15.45 37.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.337 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' A' ' 116' ' ' ALA . 26.6 m-85 -144.73 105.85 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -123.31 140.87 52.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 108' ' ' THR . 15.0 t -87.04 72.65 10.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 107' ' ' CYS . 10.1 t -34.12 -38.32 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.152 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -42.55 -59.94 1.71 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.7 p -112.39 -43.97 3.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.07 17.93 1.76 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -78.03 115.66 17.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.319 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.0 p -89.93 162.85 15.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -151.81 174.68 13.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -91.76 -47.42 7.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.808 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.567 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -114.48 174.03 6.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.049 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.641 ' O ' HG23 ' A' ' 121' ' ' VAL . 12.8 tptm -69.99 -52.38 24.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -48.25 -60.13 5.9 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -40.2 -50.82 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 16.0 tp -65.93 -51.46 58.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 117' ' ' LYS . 86.6 t -45.34 -47.65 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.4 m -61.04 -32.75 72.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.901 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.4 t60 -70.88 -47.89 56.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -50.52 -35.1 27.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -50.07 -21.28 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.901 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.2 pt -72.43 -33.15 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 128' ' ' THR . 92.5 m-70 -73.94 -53.35 10.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 127' ' ' HIS . 72.2 p -35.44 115.41 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -56.26 -88.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 54.11 41.6 31.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.93 0.395 . . . . 0.0 110.905 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -164.4 108.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 69.3 p -100.06 104.8 16.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 94.38 145.51 18.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 133.82 26.49 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 136' ' ' SER . 2.0 m -83.48 80.26 9.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 135' ' ' SER . 35.1 t 37.39 41.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.794 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.6 t -134.64 -46.23 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.827 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.7 p -50.84 167.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -166.07 -71.43 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.5 t -50.5 97.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.878 0.371 . . . . 0.0 110.879 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.6 p -125.82 107.29 10.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 171.01 -67.26 0.14 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.1 t -67.1 137.28 56.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 111.177 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 177.45 -50.63 0.1 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.429 ' C ' ' HD2' ' A' ' 103' ' ' LYS . 8.5 tm0? -169.52 138.22 1.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 110.916 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.429 ' HD2' ' C ' ' A' ' 102' ' ' GLN . 0.7 OUTLIER -143.41 156.46 60.55 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.592 0.71 . . . . 0.0 110.902 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.42 ' O ' ' CD1' ' A' ' 105' ' ' PHE . 53.8 Cg_endo -69.72 -6.01 17.55 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.709 2.272 . . . . 0.0 112.324 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.444 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 27.4 m-85 -154.4 105.0 2.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -121.46 144.15 48.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 108' ' ' THR . 23.5 t -91.55 74.02 5.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 107' ' ' CYS . 10.1 t -35.7 -38.48 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.159 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -42.65 -60.22 1.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 28.2 p -112.86 -43.1 3.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.15 14.49 2.21 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -74.58 117.39 16.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.735 0.302 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.404 ' C ' ' CD1' ' A' ' 114' ' ' PHE . 85.3 p -94.47 161.51 14.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 113' ' ' SER . 80.0 m-85 -150.69 173.17 14.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 -93.47 -41.47 9.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.415 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -116.86 159.68 22.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.599 ' O ' HG23 ' A' ' 121' ' ' VAL . 15.9 tptm -60.33 -54.65 43.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -46.68 -58.54 5.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -41.78 -50.83 4.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.6 tp -66.03 -48.4 71.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 117' ' ' LYS . 89.6 t -47.35 -47.07 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -62.47 -33.01 73.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.169 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.848 ' O ' HG23 ' A' ' 126' ' ' ILE . 21.2 t60 -69.68 -47.83 61.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -51.9 -31.74 29.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -53.76 -19.35 4.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.848 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.8 pt -74.5 -31.85 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -80.57 -45.16 17.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 80.6 p -38.85 138.94 0.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -105.47 65.78 0.28 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -125.07 41.13 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.947 0.403 . . . . 0.0 110.921 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.1 155.69 47.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 98.8 p -95.64 147.25 23.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.62 146.25 6.74 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 91.39 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.653 2.235 . . . . 0.0 112.321 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 31.0 t -83.59 110.0 17.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 39.1 t -64.63 -49.66 70.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.545 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.6 m -116.58 167.85 10.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.837 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 95.9 p -99.96 127.75 46.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.13 55.14 14.04 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.46 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.8 p -58.56 133.38 55.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.876 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.7 m -45.74 -50.44 13.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 105.1 157.45 23.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.457 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.1 t -120.55 -24.64 5.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 111.155 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 148.17 -121.1 1.29 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.457 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -162.67 150.02 13.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 110.945 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.427 ' HD3' ' C ' ' A' ' 114' ' ' PHE . 19.9 mttp -123.67 161.76 44.38 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.529 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.9 Cg_endo -69.75 -4.83 14.81 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.737 2.291 . . . . 0.0 112.339 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.544 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 30.4 m-85 -145.21 106.96 4.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -125.45 141.64 51.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 108' ' ' THR . 19.2 t -91.19 71.91 6.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 107' ' ' CYS . 7.4 t -36.77 -34.54 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -44.97 -57.87 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.9 p -114.86 -42.09 3.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 130.17 10.58 2.72 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -73.03 116.62 13.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.319 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 97.2 p -93.06 159.58 15.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.427 ' C ' ' HD3' ' A' ' 103' ' ' LYS . 85.4 m-85 -149.3 163.71 36.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.0 ttt-85 -87.33 -42.81 12.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -116.59 159.34 22.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.544 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 11.2 tptp -57.85 -61.94 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -39.71 -62.22 1.44 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -39.43 -48.78 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.16 -50.65 53.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 117' ' ' LYS . 65.0 t -45.53 -48.01 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.4 m -60.4 -34.05 73.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.802 ' O ' HG23 ' A' ' 126' ' ' ILE . 27.3 t60 -70.27 -47.5 60.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -51.31 -31.81 22.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -53.04 -23.87 8.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.802 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.3 pt -71.39 -30.47 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 128' ' ' THR . 90.6 m-70 -78.46 -52.15 8.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.834 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 127' ' ' HIS . 65.9 p -35.48 138.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -100.17 73.97 0.45 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -153.86 137.19 15.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.941 0.401 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.9 tttm -122.62 88.79 2.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 69.8 m 45.06 39.79 4.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -100.38 -158.33 27.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.537 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 179.39 3.74 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.721 2.281 . . . . 0.0 112.303 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 39.3 t -79.69 138.66 37.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 92.9 p -68.8 132.02 46.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.458 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.8 t -69.49 169.03 13.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 110.887 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.9 t -130.77 128.36 40.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.71 150.82 51.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 91.0 p -94.25 -44.36 8.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.359 . . . . 0.0 110.852 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.9 m -131.07 144.77 51.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 123.04 -53.31 0.74 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.8 t -57.51 136.46 56.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.797 0.332 . . . . 0.0 111.135 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -130.03 -99.51 0.87 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -161.02 109.7 1.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.379 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.465 ' N ' ' HE2' ' A' ' 103' ' ' LYS . 0.3 OUTLIER -88.03 159.74 47.74 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.57 0.7 . . . . 0.0 110.858 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.401 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.6 Cg_endo -69.78 -14.46 36.04 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.504 ' CE2' ' HA ' ' A' ' 116' ' ' ALA . 23.9 m-85 -145.59 105.01 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -122.39 145.29 48.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 109' ' ' HIS . 9.4 t -88.98 76.09 7.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.9 t -40.67 -26.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 107' ' ' CYS . 96.8 m-70 -54.31 -58.87 5.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.854 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.1 p -112.31 -43.11 3.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 130.02 13.01 2.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.1 tptt -74.81 115.74 14.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.742 0.306 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 58.1 p -91.89 159.34 15.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -147.63 170.81 16.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 -88.76 -45.17 10.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.504 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -116.04 169.1 9.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.468 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 18.1 tttt -64.77 -63.65 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 119' ' ' ASN . . . -38.08 -62.89 0.98 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 118' ' ' GLY . 5.2 t-20 -37.66 -51.98 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.367 . . . . 0.0 110.874 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.415 HD23 ' HB3' ' A' ' 105' ' ' PHE . 14.1 tp -67.34 -51.65 49.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.1 t -45.02 -45.02 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -65.44 -33.41 75.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.855 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.0 t60 -67.84 -47.53 68.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.799 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -51.36 -33.0 27.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 47.2 mtp85 -52.32 -20.42 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.855 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.8 pt -73.44 -31.39 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 128' ' ' THR . 93.3 m-70 -77.02 -51.88 10.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 127' ' ' HIS . 72.8 p -36.68 146.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -142.55 73.56 0.36 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' A' ' 131' ' ' LYS . 9.2 pt-20 -103.76 107.7 18.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.93 0.395 . . . . 0.0 110.9 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER 32.35 41.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.4 t -69.86 -61.12 1.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 174.84 151.29 8.35 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 88.45 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.739 2.292 . . . . 0.0 112.327 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 60.0 p -125.14 40.79 3.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.2 t -43.0 -59.8 1.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.5 t -89.19 154.0 20.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.873 0.368 . . . . 0.0 110.851 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.4 m -59.73 -53.78 54.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -166.44 144.54 9.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.0 m -155.44 142.09 18.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.351 . . . . 0.0 110.855 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.7 p -103.59 40.96 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -137.61 138.66 9.83 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 86.9 m -118.71 116.87 27.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.37 . . . . 0.0 111.115 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 102' ' ' GLN . . . -89.58 57.1 3.82 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.464 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 101' ' ' GLY . 5.2 pt20 36.84 49.53 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.897 0.38 . . . . 0.0 110.9 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -38.92 147.94 0.27 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.59 0.71 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -5.81 17.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.335 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 39.0 m-85 -151.65 105.0 3.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -124.89 146.57 49.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 108' ' ' THR . 15.0 t -91.72 74.68 5.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 107' ' ' CYS . 8.1 t -33.79 -39.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.159 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -42.84 -59.38 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.0 p -112.99 -44.62 3.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.6 14.85 2.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -72.88 116.25 13.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.74 0.305 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.1 p -92.25 159.72 15.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.409 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 91.5 m-85 -149.14 177.98 9.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -95.02 -44.6 7.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.508 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -117.4 157.72 25.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 18.5 tptp -54.5 -58.18 8.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -43.44 -54.95 5.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -44.17 -52.06 7.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.409 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 10.8 tp -65.63 -48.81 70.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 117' ' ' LYS . 61.9 t -47.42 -51.56 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -57.58 -35.4 70.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.887 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.7 t60 -67.15 -48.08 69.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -50.94 -34.08 27.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -51.31 -19.27 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.887 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.3 pt -74.52 -32.59 30.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 128' ' ' THR . 93.1 m-70 -74.29 -54.2 8.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 127' ' ' HIS . 64.3 p -34.75 104.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -51.26 -42.62 49.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -40.02 136.0 1.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 0.0 110.905 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -98.09 132.3 43.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.7 m -124.69 129.66 50.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 55.83 168.19 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.521 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 166.1 28.69 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.727 2.284 . . . . 0.0 112.361 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 47.2 t -68.99 -48.85 62.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.0 m 64.14 43.53 4.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.892 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.473 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.7 t -86.24 106.66 17.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.883 0.373 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.5 p -67.29 -48.9 66.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.836 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.41 166.76 33.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 t -76.02 167.05 22.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.853 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.9 t -43.74 136.05 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.69 135.36 44.29 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.3 m -113.25 103.72 11.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.847 0.356 . . . . 0.0 111.127 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -164.66 -179.64 38.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -90.3 162.44 15.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.946 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -150.96 161.14 30.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.569 0.699 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -6.62 19.0 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.363 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.541 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 43.2 m-85 -148.75 106.05 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -123.87 143.4 50.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 108' ' ' THR . 18.6 t -90.86 72.65 6.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 107' ' ' CYS . 9.9 t -33.96 -38.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -42.75 -60.76 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.2 p -111.87 -43.84 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.25 17.01 1.84 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -76.82 117.64 18.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 82.6 p -93.83 158.38 15.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.446 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 89.8 m-85 -148.8 164.74 33.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 39.4 mtt85 -82.67 -46.99 12.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.432 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -117.34 154.2 31.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.541 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 4.5 ttpm? -50.72 -65.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -34.27 -62.98 0.46 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -39.91 -50.04 2.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.36 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.446 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 15.2 tp -68.42 -51.67 41.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.9 t -44.12 -46.42 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.3 m -62.93 -33.43 75.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.894 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.0 t60 -69.79 -47.68 61.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -51.42 -32.64 27.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 125' ' ' ARG . 14.4 mtp-105 -53.12 -17.93 1.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.894 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.6 pt -75.39 -30.38 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 128' ' ' THR . 96.5 m-70 -79.9 -50.72 10.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 127' ' ' HIS . 59.4 p -35.62 120.02 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -122.11 53.58 0.72 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -120.13 133.32 55.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -155.72 143.76 19.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 70.1 m -136.53 154.59 50.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 87.76 -157.29 28.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 171.44 14.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 5.1 m -98.65 130.68 45.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.816 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 47.0 p -124.69 140.13 53.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.855 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 44.6 p -144.9 118.29 9.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.944 0.402 . . . . 0.0 110.825 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 96.6 p -113.42 96.03 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 136.23 47.22 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.9 m -52.3 151.35 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 0.0 110.883 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.7 p -66.37 170.05 6.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 154.48 -143.83 10.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.1 p -123.42 -20.26 5.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.78 0.324 . . . . 0.0 111.119 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 149.39 129.59 1.76 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -76.1 159.06 31.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 0.0 110.949 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.55 161.49 39.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.502 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.3 Cg_endo -69.79 -5.95 17.46 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.718 2.278 . . . . 0.0 112.326 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 22.4 m-85 -147.97 105.15 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -122.49 145.91 47.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 108' ' ' THR . 36.0 t -91.02 80.03 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 107' ' ' CYS . 10.2 t -36.41 -40.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.406 ' N ' HG23 ' A' ' 108' ' ' THR . 53.8 m80 -41.95 -64.76 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.4 p -109.29 -43.7 4.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 107' ' ' CYS . . . 129.06 13.84 2.34 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.471 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -69.34 115.67 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 90.6 p -91.13 162.14 14.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.573 ' CD1' HD13 ' A' ' 120' ' ' LEU . 88.9 m-85 -151.36 169.93 20.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 -87.79 -42.87 12.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.524 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -122.26 152.71 39.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 13.5 ttpt -48.81 -66.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -34.17 -66.61 0.28 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.436 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 118' ' ' GLY . 10.8 t-20 -36.7 -49.62 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.353 . . . . 0.0 110.868 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.573 HD13 ' CD1' ' A' ' 114' ' ' PHE . 19.9 tp -68.87 -51.75 36.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.1 t -43.61 -44.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.0 m -65.24 -33.68 76.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.909 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.9 t60 -67.03 -47.49 71.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -50.94 -33.58 25.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -51.93 -18.43 1.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.909 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.7 pt -75.49 -30.61 22.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 128' ' ' THR . 93.9 m-70 -77.38 -51.01 11.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 127' ' ' HIS . 61.0 p -36.64 145.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -85.25 69.33 3.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -116.05 -46.83 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -101.13 -59.27 1.73 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 28.6 m -87.4 94.56 9.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 78.78 62.64 2.22 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 159.59 52.83 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.382 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 48.1 t -95.46 161.44 14.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.4 m -38.87 -59.05 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.4 p -40.89 124.93 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.875 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.0 p -71.08 143.39 50.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 154.61 90.66 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 t -123.72 115.83 22.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.6 p -49.56 162.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -126.34 60.23 0.65 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.6 p -54.41 -35.43 62.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 0.0 111.13 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.57 163.27 23.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -77.54 143.35 38.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.944 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -119.5 154.86 54.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.579 0.704 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -10.48 28.71 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.712 2.274 . . . . 0.0 112.337 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.504 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 32.8 m-85 -147.63 106.46 3.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -122.56 141.64 51.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 109' ' ' HIS . 10.1 t -87.79 71.32 9.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 107' ' ' CYS . 4.8 t -34.09 -33.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.476 ' N ' ' O ' ' A' ' 107' ' ' CYS . 12.8 m-70 -47.82 -54.62 11.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 24.6 p -117.7 -42.08 2.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 127.2 17.41 2.21 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.527 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.6 tptt -78.3 115.98 18.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 82.7 p -90.26 163.57 14.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.826 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.404 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 90.9 m-85 -152.67 175.4 12.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -95.21 -44.52 7.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.812 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.457 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -117.98 157.48 26.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.554 ' O ' HG23 ' A' ' 121' ' ' VAL . 8.6 tptm -55.08 -54.19 46.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 119' ' ' ASN . . . -46.51 -62.73 3.44 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 118' ' ' GLY . 5.5 m120 -38.03 -49.33 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.404 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 17.5 tp -67.47 -50.11 60.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 117' ' ' LYS . 97.6 t -45.73 -48.11 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.3 m -60.59 -33.32 72.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.891 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.0 t60 -70.44 -47.54 60.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -50.85 -34.03 26.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -51.17 -20.43 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.891 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.2 pt -73.72 -31.49 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 128' ' ' THR . 92.0 m-70 -75.6 -51.02 13.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 127' ' ' HIS . 64.5 p -36.57 -46.37 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.122 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 46.75 74.99 0.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.475 ' HG3' ' N ' ' A' ' 131' ' ' LYS . 18.6 pt-20 -120.31 -43.96 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.931 0.396 . . . . 0.0 110.868 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.475 ' N ' ' HG3' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -77.84 139.33 39.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 30.4 t -40.09 119.9 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -49.47 -179.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -24.34 29.53 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.347 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.2 t 41.48 43.58 2.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.2 m -73.65 -62.88 1.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.9 p -91.61 93.1 8.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 110.874 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 84.0 p -159.76 113.06 2.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 173.66 140.24 3.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.533 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 m -60.23 163.23 5.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 0.0 110.873 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.2 t -82.27 134.69 35.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.27 96.97 0.28 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.473 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 100' ' ' THR . 15.1 t -137.59 120.75 16.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 111.168 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.94 179.77 2.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -132.5 129.31 38.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -94.41 150.16 37.75 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.595 0.712 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.436 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.2 Cg_endo -69.83 -9.77 26.89 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.296 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.549 ' CE2' ' HA ' ' A' ' 116' ' ' ALA . 28.0 m-85 -146.81 108.65 4.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -123.25 141.65 51.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.42 ' O ' ' N ' ' A' ' 109' ' ' HIS . 13.9 t -87.56 74.37 9.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.4 t -37.1 -32.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 107' ' ' CYS . 95.2 m-70 -48.21 -59.23 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.813 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.9 p -114.83 -41.95 3.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.93 13.11 2.27 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.521 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -74.03 117.39 15.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.0 p -94.12 159.14 15.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.507 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 89.5 m-85 -148.4 168.43 22.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -83.67 -48.43 10.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.549 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -113.87 171.36 7.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.416 ' O ' HG23 ' A' ' 121' ' ' VAL . 13.6 tptp -66.17 -59.78 3.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -43.0 -53.84 5.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.45 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -45.04 -50.98 10.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.507 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 9.2 tp -67.85 -48.69 65.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 117' ' ' LYS . 93.4 t -47.2 -48.09 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.3 m -60.35 -32.28 71.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.115 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.85 ' O ' HG23 ' A' ' 126' ' ' ILE . 19.2 t60 -71.23 -47.3 58.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -51.22 -33.15 26.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 72.8 mtp85 -52.04 -21.16 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.85 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.7 pt -73.19 -30.72 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 128' ' ' THR . 91.7 m-70 -76.82 -51.81 10.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.813 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 127' ' ' HIS . 77.5 p -35.93 128.19 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -70.59 99.32 0.73 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.516 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -152.19 126.6 9.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.946 0.403 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.79 142.02 48.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 88.4 p -103.76 105.29 15.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -141.13 150.22 21.64 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 2.3 3.64 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 18.5 m -84.76 168.59 15.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.4 m -44.59 130.54 6.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.507 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.1 m -89.8 139.42 30.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 35.8 t -172.92 142.12 1.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 139.42 53.42 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 50.6 m -123.33 130.38 52.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.908 0.385 . . . . 0.0 110.841 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.3 m -82.49 91.27 6.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 63.09 114.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 41.0 p -50.93 141.02 14.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 111.128 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -113.57 166.32 12.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.528 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -78.73 159.38 27.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.426 ' NZ ' ' HG2' ' A' ' 115' ' ' ARG . 11.7 mtpt -121.54 154.94 59.91 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.556 0.693 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.407 ' O ' ' CD1' ' A' ' 105' ' ' PHE . 53.3 Cg_endo -69.8 -5.26 15.82 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.666 2.244 . . . . 0.0 112.329 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 24.4 m-85 -153.47 105.17 2.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -125.29 142.89 51.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 108' ' ' THR . 14.3 t -89.65 71.88 7.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 107' ' ' CYS . 9.6 t -34.4 -39.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -40.52 -60.78 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.1 p -111.22 -43.64 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.23 15.2 2.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.47 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.3 tptt -75.84 115.95 16.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.747 0.308 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 86.9 p -92.15 156.61 17.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.563 ' CD1' HD13 ' A' ' 120' ' ' LEU . 70.0 m-85 -145.47 171.68 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.426 ' HG2' ' NZ ' ' A' ' 103' ' ' LYS . 7.7 mmm-85 -91.94 -44.48 8.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -114.36 157.78 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.083 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.641 ' O ' HG23 ' A' ' 121' ' ' VAL . 39.8 tptt -58.86 -52.62 64.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -49.77 -62.59 4.78 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.527 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -39.28 -45.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.563 HD13 ' CD1' ' A' ' 114' ' ' PHE . 13.8 tp -69.85 -47.81 61.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 117' ' ' LYS . 99.3 t -48.46 -47.35 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.0 m -60.18 -34.33 73.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.92 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.7 t60 -67.5 -48.38 67.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -50.34 -35.49 28.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -49.86 -19.77 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.92 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.5 pt -73.93 -34.35 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 128' ' ' THR . 93.1 m-70 -73.19 -53.24 11.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 127' ' ' HIS . 60.9 p -34.65 113.88 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.177 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -110.98 80.69 0.27 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.479 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -144.81 155.58 43.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.86 0.362 . . . . 0.0 110.912 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -156.29 127.03 6.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.2 t -94.25 169.59 10.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -139.18 -175.82 14.32 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -0.17 6.52 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.333 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.2 m -138.28 136.91 36.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 25.5 p -119.07 126.21 51.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.1 m -130.82 171.9 12.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.881 0.372 . . . . 0.0 110.822 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.4 t -119.08 147.99 43.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -118.09 173.33 14.79 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.6 p -83.84 -41.81 17.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 110.904 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.7 m -84.37 119.45 25.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -90.47 -93.07 1.24 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 37.9 p -105.95 111.11 23.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.838 0.352 . . . . 0.0 111.169 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -109.45 -125.96 5.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.415 ' CD ' ' N ' ' A' ' 102' ' ' GLN . 0.1 OUTLIER -134.13 127.5 32.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.855 0.359 . . . . 0.0 110.908 -179.888 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -152.26 159.92 32.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.561 0.695 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.445 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.8 Cg_endo -69.81 -5.92 17.38 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.318 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.506 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 24.0 m-85 -150.41 106.94 3.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -122.82 142.82 50.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.0 t -87.69 75.66 8.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.1 t -37.35 -34.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -47.74 -58.02 4.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.6 p -114.73 -43.63 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 130.05 12.05 2.44 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -72.39 116.59 13.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 90.6 p -90.86 159.96 15.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.409 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 87.0 m-85 -149.24 164.74 33.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -83.42 -48.38 10.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.446 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -114.05 157.7 22.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.506 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 29.3 tptt -54.55 -66.16 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -36.1 -62.75 0.7 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.451 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 118' ' ' GLY . 69.5 m-20 -37.95 -51.34 1.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.88 0.371 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.409 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 12.4 tp -66.38 -50.46 63.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.9 t -45.74 -47.09 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -61.85 -35.27 77.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.844 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.3 t60 -66.06 -47.28 74.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -51.22 -33.01 26.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -52.08 -22.27 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.844 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.7 pt -71.81 -32.41 44.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 128' ' ' THR . 91.7 m-70 -75.2 -51.52 13.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 127' ' ' HIS . 61.7 p -36.95 -45.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 52.23 68.41 1.58 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -101.12 83.71 2.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.932 0.396 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -119.6 84.1 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 67.0 p -134.92 105.69 6.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -100.24 159.86 19.3 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.458 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 137.87 36.62 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.387 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.8 m -166.73 150.98 7.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.3 m -50.63 -56.96 9.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.493 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.498 ' CE ' ' O ' ' A' ' 114' ' ' PHE . 12.7 mtpp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.618 0.723 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -7.65 21.61 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.679 2.253 . . . . 0.0 112.372 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' A' ' 116' ' ' ALA . 26.2 m-85 -151.27 107.28 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -123.52 146.57 47.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 108' ' ' THR . 12.8 t -91.91 72.7 5.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 107' ' ' CYS . 5.5 t -34.25 -37.13 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 107' ' ' CYS . 75.1 m-70 -45.23 -58.0 3.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 27.3 p -114.17 -42.83 3.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 127.87 14.98 2.43 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.0 tptt -74.62 116.7 15.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.32 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 85.0 p -91.92 159.39 15.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.498 ' O ' ' CE ' ' A' ' 103' ' ' LYS . 84.7 m-85 -148.56 170.4 18.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -90.45 -43.7 10.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.423 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -117.52 156.64 27.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.514 ' O ' HG23 ' A' ' 121' ' ' VAL . 46.3 tptt -54.83 -58.47 7.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -42.46 -62.75 2.07 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.474 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -38.33 -51.9 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.441 HD13 ' CD1' ' A' ' 114' ' ' PHE . 17.7 tp -65.15 -51.68 59.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 117' ' ' LYS . 93.5 t -44.99 -47.13 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -61.64 -34.82 76.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.831 ' O ' HG23 ' A' ' 126' ' ' ILE . 22.9 t60 -68.74 -47.75 65.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -51.81 -31.68 28.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -53.62 -21.03 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.831 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.6 pt -73.0 -30.44 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 128' ' ' THR . 94.9 m-70 -78.37 -52.51 8.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 127' ' ' HIS . 58.4 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp . . . . . 0 C--O 1.23 0.062 0 CA-C-O 121.577 0.703 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -8.32 23.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.632 2.221 . . . . 0.0 112.336 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.537 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 29.0 m-85 -149.88 105.22 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -122.28 140.01 53.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 108' ' ' THR . 33.5 t -88.12 75.39 8.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 107' ' ' CYS . 9.1 t -37.07 -38.18 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -42.33 -59.76 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.809 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 27.9 p -114.09 -41.73 3.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.54 11.78 2.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -72.22 116.09 12.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.5 p -93.0 163.0 13.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.811 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -151.59 172.32 16.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -91.65 -42.46 10.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.485 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -118.86 157.67 27.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.043 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 18.9 tptp -55.53 -60.53 3.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 119' ' ' ASN . . . -40.59 -63.96 1.3 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.494 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 118' ' ' GLY . 12.5 m120 -37.9 -50.27 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.917 0.389 . . . . 0.0 110.914 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 14.4 tp -66.42 -49.51 66.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 117' ' ' LYS . 88.7 t -46.39 -48.53 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -60.23 -32.78 71.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.825 ' O ' HG23 ' A' ' 126' ' ' ILE . 23.7 t60 -71.07 -47.39 58.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -51.82 -31.68 28.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -53.59 -21.19 6.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.825 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.5 pt -73.37 -29.26 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.45 ' O ' ' C ' ' A' ' 128' ' ' THR . 94.8 m-70 -81.73 -50.45 9.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 127' ' ' HIS . 57.9 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.581 0.705 . . . . 0.0 110.874 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.405 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.3 Cg_endo -69.74 -9.06 25.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 27.4 m-85 -148.8 110.91 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -123.31 144.48 49.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 108' ' ' THR . 22.8 t -91.14 72.77 6.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 107' ' ' CYS . 9.8 t -34.24 -37.59 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.176 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . 0.403 ' N ' ' O ' ' A' ' 107' ' ' CYS . 98.9 m-70 -43.11 -59.05 2.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.5 p -113.61 -43.69 3.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 131.24 6.89 3.34 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -67.68 116.19 8.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.0 p -92.89 156.28 17.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.428 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 89.0 m-85 -145.47 165.05 29.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 9.0 tpt85 -88.25 -43.22 11.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.622 ' HB3' HD22 ' A' ' 119' ' ' ASN . . . -113.54 154.13 27.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.584 ' O ' HG23 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -56.77 -54.55 44.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -47.15 -60.46 5.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.622 HD22 ' HB3' ' A' ' 116' ' ' ALA . 34.5 m-80 -39.92 -48.88 2.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.888 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.428 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 14.5 tp -67.95 -49.81 59.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 117' ' ' LYS . 90.5 t -46.04 -46.31 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -63.52 -33.4 75.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.789 ' O ' HG23 ' A' ' 126' ' ' ILE . 24.5 t60 -67.69 -47.33 69.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.821 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -51.27 -32.0 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -52.85 -24.34 8.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.789 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.2 pt -70.64 -34.94 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.069 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 128' ' ' THR . 87.2 m-70 -71.38 -54.03 12.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 127' ' ' HIS . 58.5 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? . . . . . 0 C--O 1.23 0.057 0 CA-C-O 121.622 0.725 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.505 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.9 Cg_endo -69.74 -6.72 19.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 23.2 m-85 -147.79 105.74 3.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -121.33 139.43 53.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 108' ' ' THR . 18.7 t -85.96 76.33 9.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 107' ' ' CYS . 9.7 t -34.77 -40.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -42.07 -58.58 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.794 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.8 p -114.65 -42.97 3.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 126.97 16.05 2.47 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -74.34 115.9 14.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.794 0.331 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 88.8 p -90.54 161.54 15.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.434 ' CD1' HD13 ' A' ' 120' ' ' LEU . 89.5 m-85 -151.17 167.39 27.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.8 mtm180 -83.94 -44.21 14.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.539 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -120.11 160.07 23.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -55.75 -61.02 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 119' ' ' ASN . . . -39.47 -68.16 0.54 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 118' ' ' GLY . 4.1 m120 -34.49 -46.35 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.362 . . . . 0.0 110.883 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.434 HD13 ' CD1' ' A' ' 114' ' ' PHE . 18.7 tp -69.4 -48.89 59.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.3 t -46.87 -46.54 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.4 m -62.12 -33.43 74.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.825 ' O ' HG23 ' A' ' 126' ' ' ILE . 19.8 t60 -68.49 -47.81 66.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -50.5 -33.76 22.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -50.97 -25.44 4.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.825 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.5 pt -68.68 -31.85 52.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 128' ' ' THR . 92.2 m-70 -77.18 -50.39 13.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 127' ' ' HIS . 60.7 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.421 ' HE2' ' C ' ' A' ' 114' ' ' PHE . 10.8 mtpp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.547 0.689 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.431 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.5 Cg_endo -69.81 -6.75 19.36 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.647 2.232 . . . . 0.0 112.345 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 20.7 m-85 -150.76 106.84 3.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -123.93 144.52 49.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 109' ' ' HIS . 8.7 t -88.38 72.79 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.2 t -36.39 -29.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 107' ' ' CYS . 60.6 m-70 -52.21 -57.1 10.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.825 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.9 p -115.12 -42.57 3.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.99 13.69 2.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -74.46 116.58 15.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 97.1 p -91.85 157.56 16.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.52 ' CD1' HD13 ' A' ' 120' ' ' LEU . 88.0 m-85 -147.04 169.16 19.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -88.04 -46.65 9.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -116.04 151.47 35.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 20.5 tptt -50.48 -60.03 3.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -40.55 -62.11 1.69 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -40.04 -53.04 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.381 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.52 HD13 ' CD1' ' A' ' 114' ' ' PHE . 15.6 tp -63.21 -48.38 78.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 117' ' ' LYS . 97.4 t -47.3 -49.88 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.6 m -58.94 -35.34 72.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.888 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.2 t60 -66.68 -48.97 67.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -50.64 -35.06 28.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 125' ' ' ARG . 12.1 mtp-105 -50.17 -21.25 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.888 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.1 pt -71.75 -34.22 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -74.1 -65.06 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 -179.909 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.456 ' HD3' ' CB ' ' A' ' 113' ' ' SER . 2.6 mptp? . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.59 0.709 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -12.88 33.85 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.723 2.282 . . . . 0.0 112.309 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.504 ' CE2' ' HA ' ' A' ' 116' ' ' ALA . 31.2 m-85 -146.03 107.25 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -121.97 139.68 53.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 109' ' ' HIS . 8.9 t -84.12 75.57 10.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.8 t -38.22 -28.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.159 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 107' ' ' CYS . 83.9 m-70 -54.39 -49.65 69.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.8 p -122.62 -42.04 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.33 9.22 3.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -69.87 116.48 10.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.35 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.456 ' CB ' ' HD3' ' A' ' 103' ' ' LYS . 87.5 p -91.48 162.47 14.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 113' ' ' SER . 75.5 m-85 -151.24 175.84 11.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -93.98 -44.13 8.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.504 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -118.43 159.8 22.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.528 ' O ' HG23 ' A' ' 121' ' ' VAL . 21.3 tptp -56.77 -58.44 8.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -43.15 -61.93 2.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -38.37 -51.12 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.417 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 13.8 tp -66.43 -51.06 60.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 117' ' ' LYS . 99.0 t -44.71 -47.11 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -61.67 -33.76 74.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.824 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.3 t60 -69.88 -47.72 61.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -50.97 -32.51 21.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -52.3 -25.12 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.824 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.9 pt -68.26 -32.5 56.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 128' ' ' THR . 93.1 m-70 -75.09 -53.18 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 127' ' ' HIS . 61.3 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 114' ' ' PHE . 14.3 mtpp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.608 0.718 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.479 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.3 Cg_endo -69.78 -9.31 25.78 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 20.9 m-85 -147.28 105.68 3.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -121.23 150.86 40.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 108' ' ' THR . 22.5 t -94.39 73.97 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 107' ' ' CYS . 4.6 t -35.43 -37.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -46.13 -55.85 6.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.5 p -116.52 -44.84 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 132.28 7.81 2.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -65.67 119.13 10.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.786 0.327 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.3 p -95.91 160.47 14.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.85 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.462 ' N ' ' HD3' ' A' ' 103' ' ' LYS . 84.4 m-85 -150.81 170.27 19.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 -88.72 -44.84 10.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.523 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -117.24 156.78 27.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 27.9 tttt -53.88 -66.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -35.83 -52.51 1.15 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -47.13 -47.74 23.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.853 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.0 tp -71.98 -48.55 44.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.3 t -47.71 -44.23 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.4 m -66.65 -32.0 73.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.796 ' O ' HG23 ' A' ' 126' ' ' ILE . 27.5 t60 -70.1 -47.12 63.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -51.66 -31.31 25.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 56.1 mtt-85 -53.66 -22.24 8.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.796 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.3 pt -73.5 -28.31 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 128' ' ' THR . 89.4 m-70 -79.36 -52.01 8.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 127' ' ' HIS . 60.0 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.6 mttm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.577 0.703 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.416 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.8 Cg_endo -69.76 -5.8 17.07 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.689 2.26 . . . . 0.0 112.339 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.553 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 44.9 m-85 -147.7 106.48 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -122.97 141.1 52.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 108' ' ' THR . 17.3 t -88.94 74.95 8.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 107' ' ' CYS . 6.6 t -35.47 -39.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -41.91 -59.25 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.3 p -114.34 -43.69 3.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 130.04 12.62 2.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -72.66 116.32 12.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.766 0.317 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 78.7 p -93.02 158.95 15.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.517 ' CD1' HD13 ' A' ' 120' ' ' LEU . 88.3 m-85 -148.75 166.09 29.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -83.05 -47.24 11.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.453 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -116.73 157.04 26.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 21.0 tttm -53.81 -66.53 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -34.5 -62.99 0.49 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.486 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -39.99 -49.44 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.517 HD13 ' CD1' ' A' ' 114' ' ' PHE . 19.3 tp -68.27 -50.41 53.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 68.1 t -45.13 -45.26 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.3 m -63.84 -34.7 78.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.876 ' O ' HG23 ' A' ' 126' ' ' ILE . 17.9 t60 -65.89 -48.07 72.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -50.73 -34.68 27.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 125' ' ' ARG . 9.0 mtp-105 -50.44 -21.27 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.876 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.9 pt -72.52 -32.47 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 128' ' ' THR . 95.0 m-70 -76.75 -51.45 11.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 127' ' ' HIS . 72.4 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.8 mptt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 121.574 0.702 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -11.48 30.9 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 41.0 m-85 -146.22 105.03 3.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -122.77 139.11 54.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 108' ' ' THR . 20.6 t -87.0 73.98 9.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 107' ' ' CYS . 7.7 t -34.09 -39.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -41.69 -61.18 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.1 p -111.58 -43.82 3.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.4 17.38 1.96 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.4 tptt -76.3 116.66 17.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 53.3 p -93.2 158.65 15.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 88.9 m-85 -148.34 169.34 20.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -85.66 -45.5 11.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.475 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -116.51 169.35 9.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.088 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 18.0 tttt -65.12 -66.29 0.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -35.16 -61.35 0.66 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.451 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -39.72 -51.58 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.357 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.43 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 13.6 tp -67.65 -48.99 65.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 92.7 t -46.81 -46.47 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.4 m -63.98 -34.26 77.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.88 ' O ' HG23 ' A' ' 126' ' ' ILE . 15.7 t60 -65.44 -47.43 76.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.806 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -50.44 -34.86 26.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.968 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 40.4 mtp85 -50.07 -22.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.88 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.4 pt -70.55 -34.02 55.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 128' ' ' THR . 94.4 m-70 -75.64 -50.17 16.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 127' ' ' HIS . 71.7 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 mptt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.589 0.709 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -15.45 37.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.337 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' A' ' 116' ' ' ALA . 26.6 m-85 -144.73 105.85 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -123.31 140.87 52.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 108' ' ' THR . 15.0 t -87.04 72.65 10.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 107' ' ' CYS . 10.1 t -34.12 -38.32 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.152 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -42.55 -59.94 1.71 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.7 p -112.39 -43.97 3.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.07 17.93 1.76 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -78.03 115.66 17.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.319 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.0 p -89.93 162.85 15.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -151.81 174.68 13.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -91.76 -47.42 7.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.808 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.567 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -114.48 174.03 6.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.049 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.641 ' O ' HG23 ' A' ' 121' ' ' VAL . 12.8 tptm -69.99 -52.38 24.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -48.25 -60.13 5.9 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -40.2 -50.82 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 16.0 tp -65.93 -51.46 58.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 117' ' ' LYS . 86.6 t -45.34 -47.65 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.4 m -61.04 -32.75 72.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.901 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.4 t60 -70.88 -47.89 56.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -50.52 -35.1 27.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -50.07 -21.28 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.901 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.2 pt -72.43 -33.15 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 128' ' ' THR . 92.5 m-70 -73.94 -53.35 10.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 127' ' ' HIS . 72.2 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.592 0.71 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.42 ' O ' ' CD1' ' A' ' 105' ' ' PHE . 53.8 Cg_endo -69.72 -6.01 17.55 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.709 2.272 . . . . 0.0 112.324 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.444 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 27.4 m-85 -154.4 105.0 2.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -121.46 144.15 48.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 108' ' ' THR . 23.5 t -91.55 74.02 5.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 107' ' ' CYS . 10.1 t -35.7 -38.48 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.159 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -42.65 -60.22 1.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 28.2 p -112.86 -43.1 3.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.15 14.49 2.21 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -74.58 117.39 16.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.735 0.302 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.404 ' C ' ' CD1' ' A' ' 114' ' ' PHE . 85.3 p -94.47 161.51 14.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 113' ' ' SER . 80.0 m-85 -150.69 173.17 14.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 -93.47 -41.47 9.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.415 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -116.86 159.68 22.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.599 ' O ' HG23 ' A' ' 121' ' ' VAL . 15.9 tptm -60.33 -54.65 43.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -46.68 -58.54 5.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -41.78 -50.83 4.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.6 tp -66.03 -48.4 71.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 117' ' ' LYS . 89.6 t -47.35 -47.07 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -62.47 -33.01 73.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.169 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.848 ' O ' HG23 ' A' ' 126' ' ' ILE . 21.2 t60 -69.68 -47.83 61.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -51.9 -31.74 29.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -53.76 -19.35 4.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.848 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.8 pt -74.5 -31.85 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -80.57 -45.16 17.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 80.6 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -179.929 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.427 ' HD3' ' C ' ' A' ' 114' ' ' PHE . 19.9 mttp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.529 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.9 Cg_endo -69.75 -4.83 14.81 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.737 2.291 . . . . 0.0 112.339 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.544 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 30.4 m-85 -145.21 106.96 4.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -125.45 141.64 51.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 108' ' ' THR . 19.2 t -91.19 71.91 6.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 107' ' ' CYS . 7.4 t -36.77 -34.54 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -44.97 -57.87 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.9 p -114.86 -42.09 3.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 130.17 10.58 2.72 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -73.03 116.62 13.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.319 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 97.2 p -93.06 159.58 15.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.427 ' C ' ' HD3' ' A' ' 103' ' ' LYS . 85.4 m-85 -149.3 163.71 36.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.0 ttt-85 -87.33 -42.81 12.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -116.59 159.34 22.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.544 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 11.2 tptp -57.85 -61.94 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -39.71 -62.22 1.44 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -39.43 -48.78 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.16 -50.65 53.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 117' ' ' LYS . 65.0 t -45.53 -48.01 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.4 m -60.4 -34.05 73.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.802 ' O ' HG23 ' A' ' 126' ' ' ILE . 27.3 t60 -70.27 -47.5 60.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -51.31 -31.81 22.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -53.04 -23.87 8.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.802 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.3 pt -71.39 -30.47 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 128' ' ' THR . 90.6 m-70 -78.46 -52.15 8.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.834 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 127' ' ' HIS . 65.9 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.465 ' N ' ' HE2' ' A' ' 103' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.57 0.7 . . . . 0.0 110.858 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.401 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.6 Cg_endo -69.78 -14.46 36.04 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.504 ' CE2' ' HA ' ' A' ' 116' ' ' ALA . 23.9 m-85 -145.59 105.01 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -122.39 145.29 48.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 109' ' ' HIS . 9.4 t -88.98 76.09 7.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.9 t -40.67 -26.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 107' ' ' CYS . 96.8 m-70 -54.31 -58.87 5.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.854 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.1 p -112.31 -43.11 3.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 130.02 13.01 2.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.1 tptt -74.81 115.74 14.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.742 0.306 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 58.1 p -91.89 159.34 15.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -147.63 170.81 16.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 -88.76 -45.17 10.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.504 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -116.04 169.1 9.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.468 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 18.1 tttt -64.77 -63.65 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 119' ' ' ASN . . . -38.08 -62.89 0.98 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 118' ' ' GLY . 0.1 OUTLIER -37.66 -51.98 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.367 . . . . 0.0 110.874 -179.852 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.415 HD23 ' HB3' ' A' ' 105' ' ' PHE . 14.1 tp -67.34 -51.65 49.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.1 t -45.02 -45.02 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -65.44 -33.41 75.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.855 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.0 t60 -67.84 -47.53 68.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.799 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -51.36 -33.0 27.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 47.2 mtp85 -52.32 -20.42 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.855 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.8 pt -73.44 -31.39 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 128' ' ' THR . 93.3 m-70 -77.02 -51.88 10.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 127' ' ' HIS . 72.8 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.9 mptt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.59 0.71 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -5.81 17.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.335 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 39.0 m-85 -151.65 105.0 3.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -124.89 146.57 49.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 108' ' ' THR . 15.0 t -91.72 74.68 5.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 107' ' ' CYS . 8.1 t -33.79 -39.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.159 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -42.84 -59.38 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.0 p -112.99 -44.62 3.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.6 14.85 2.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -72.88 116.25 13.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.74 0.305 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.1 p -92.25 159.72 15.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.409 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 91.5 m-85 -149.14 177.98 9.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -95.02 -44.6 7.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.508 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -117.4 157.72 25.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 18.5 tptp -54.5 -58.18 8.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -43.44 -54.95 5.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -44.17 -52.06 7.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.409 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 10.8 tp -65.63 -48.81 70.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 117' ' ' LYS . 61.9 t -47.42 -51.56 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -57.58 -35.4 70.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.887 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.7 t60 -67.15 -48.08 69.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -50.94 -34.08 27.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -51.31 -19.27 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.887 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.3 pt -74.52 -32.59 30.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 128' ' ' THR . 93.1 m-70 -74.29 -54.2 8.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 127' ' ' HIS . 64.3 p . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 53.3 mttt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 121.569 0.699 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -6.62 19.0 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.363 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.541 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 43.2 m-85 -148.75 106.05 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -123.87 143.4 50.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 108' ' ' THR . 18.6 t -90.86 72.65 6.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 107' ' ' CYS . 9.9 t -33.96 -38.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -42.75 -60.76 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.2 p -111.87 -43.84 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.25 17.01 1.84 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -76.82 117.64 18.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 82.6 p -93.83 158.38 15.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.446 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 89.8 m-85 -148.8 164.74 33.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 39.4 mtt85 -82.67 -46.99 12.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.432 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -117.34 154.2 31.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.541 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 4.5 ttpm? -50.72 -65.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -34.27 -62.98 0.46 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -39.91 -50.04 2.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.36 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.446 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 15.2 tp -68.42 -51.67 41.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.9 t -44.12 -46.42 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.3 m -62.93 -33.43 75.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.894 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.0 t60 -69.79 -47.68 61.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -51.42 -32.64 27.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 125' ' ' ARG . 14.4 mtp-105 -53.12 -17.93 1.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.894 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.6 pt -75.39 -30.38 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 128' ' ' THR . 96.5 m-70 -79.9 -50.72 10.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 127' ' ' HIS . 59.4 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.61 0.719 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.502 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.3 Cg_endo -69.79 -5.95 17.46 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.718 2.278 . . . . 0.0 112.326 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 22.4 m-85 -147.97 105.15 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -122.49 145.91 47.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 108' ' ' THR . 36.0 t -91.02 80.03 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 107' ' ' CYS . 10.2 t -36.41 -40.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . 0.406 ' N ' HG23 ' A' ' 108' ' ' THR . 53.8 m80 -41.95 -64.76 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.4 p -109.29 -43.7 4.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 107' ' ' CYS . . . 129.06 13.84 2.34 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.471 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -69.34 115.67 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 90.6 p -91.13 162.14 14.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.573 ' CD1' HD13 ' A' ' 120' ' ' LEU . 88.9 m-85 -151.36 169.93 20.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 -87.79 -42.87 12.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.524 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -122.26 152.71 39.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 13.5 ttpt -48.81 -66.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -34.17 -66.61 0.28 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.436 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 118' ' ' GLY . 10.8 t-20 -36.7 -49.62 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.353 . . . . 0.0 110.868 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.573 HD13 ' CD1' ' A' ' 114' ' ' PHE . 19.9 tp -68.87 -51.75 36.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.1 t -43.61 -44.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.0 m -65.24 -33.68 76.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.909 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.9 t60 -67.03 -47.49 71.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -50.94 -33.58 25.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -51.93 -18.43 1.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.909 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.7 pt -75.49 -30.61 22.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 128' ' ' THR . 93.9 m-70 -77.38 -51.01 11.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 127' ' ' HIS . 61.0 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.579 0.704 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -10.48 28.71 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.712 2.274 . . . . 0.0 112.337 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.504 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 32.8 m-85 -147.63 106.46 3.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -122.56 141.64 51.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 109' ' ' HIS . 10.1 t -87.79 71.32 9.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 107' ' ' CYS . 4.8 t -34.09 -33.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . 0.476 ' N ' ' O ' ' A' ' 107' ' ' CYS . 12.8 m-70 -47.82 -54.62 11.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 24.6 p -117.7 -42.08 2.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 127.2 17.41 2.21 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.527 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.6 tptt -78.3 115.98 18.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 82.7 p -90.26 163.57 14.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.826 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.404 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 90.9 m-85 -152.67 175.4 12.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -95.21 -44.52 7.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.812 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.457 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -117.98 157.48 26.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.554 ' O ' HG23 ' A' ' 121' ' ' VAL . 8.6 tptm -55.08 -54.19 46.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 119' ' ' ASN . . . -46.51 -62.73 3.44 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 118' ' ' GLY . 4.6 m-80 -38.03 -49.33 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.404 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 17.5 tp -67.47 -50.11 60.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 117' ' ' LYS . 97.6 t -45.73 -48.11 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.3 m -60.59 -33.32 72.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.891 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.0 t60 -70.44 -47.54 60.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -50.85 -34.03 26.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -51.17 -20.43 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.891 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.2 pt -73.72 -31.49 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 128' ' ' THR . 92.0 m-70 -75.6 -51.02 13.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 127' ' ' HIS . 64.5 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.122 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.595 0.712 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.436 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.2 Cg_endo -69.83 -9.77 26.89 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.296 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.549 ' CE2' ' HA ' ' A' ' 116' ' ' ALA . 28.0 m-85 -146.81 108.65 4.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -123.25 141.65 51.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.42 ' O ' ' N ' ' A' ' 109' ' ' HIS . 13.9 t -87.56 74.37 9.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.4 t -37.1 -32.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 107' ' ' CYS . 95.2 m-70 -48.21 -59.23 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.813 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.9 p -114.83 -41.95 3.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.93 13.11 2.27 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.521 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -74.03 117.39 15.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.0 p -94.12 159.14 15.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.507 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 89.5 m-85 -148.4 168.43 22.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -83.67 -48.43 10.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.549 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -113.87 171.36 7.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.416 ' O ' HG23 ' A' ' 121' ' ' VAL . 13.6 tptp -66.17 -59.78 3.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -43.0 -53.84 5.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.45 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -45.04 -50.98 10.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.507 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 9.2 tp -67.85 -48.69 65.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 117' ' ' LYS . 93.4 t -47.2 -48.09 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.3 m -60.35 -32.28 71.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.115 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.85 ' O ' HG23 ' A' ' 126' ' ' ILE . 19.2 t60 -71.23 -47.3 58.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -51.22 -33.15 26.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 72.8 mtp85 -52.04 -21.16 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.85 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.7 pt -73.19 -30.72 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 128' ' ' THR . 91.7 m-70 -76.82 -51.81 10.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.813 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 127' ' ' HIS . 77.5 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.426 ' NZ ' ' HG2' ' A' ' 115' ' ' ARG . 11.7 mtpt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.556 0.693 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.407 ' O ' ' CD1' ' A' ' 105' ' ' PHE . 53.3 Cg_endo -69.8 -5.26 15.82 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.666 2.244 . . . . 0.0 112.329 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 24.4 m-85 -153.47 105.17 2.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -125.29 142.89 51.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 108' ' ' THR . 14.3 t -89.65 71.88 7.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 107' ' ' CYS . 9.6 t -34.4 -39.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -40.52 -60.78 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.1 p -111.22 -43.64 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.23 15.2 2.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.47 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.3 tptt -75.84 115.95 16.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.747 0.308 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 86.9 p -92.15 156.61 17.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.563 ' CD1' HD13 ' A' ' 120' ' ' LEU . 70.0 m-85 -145.47 171.68 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.426 ' HG2' ' NZ ' ' A' ' 103' ' ' LYS . 7.7 mmm-85 -91.94 -44.48 8.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -114.36 157.78 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.083 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.641 ' O ' HG23 ' A' ' 121' ' ' VAL . 39.8 tptt -58.86 -52.62 64.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -49.77 -62.59 4.78 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.527 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -39.28 -45.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.563 HD13 ' CD1' ' A' ' 114' ' ' PHE . 13.8 tp -69.85 -47.81 61.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 117' ' ' LYS . 99.3 t -48.46 -47.35 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.0 m -60.18 -34.33 73.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.92 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.7 t60 -67.5 -48.38 67.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -50.34 -35.49 28.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -49.86 -19.77 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.92 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.5 pt -73.93 -34.35 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 128' ' ' THR . 93.1 m-70 -73.19 -53.24 11.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 127' ' ' HIS . 60.9 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.177 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 37.5 mttt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.561 0.695 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.445 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.8 Cg_endo -69.81 -5.92 17.38 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.318 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.506 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 24.0 m-85 -150.41 106.94 3.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -122.82 142.82 50.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.0 t -87.69 75.66 8.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.1 t -37.35 -34.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -47.74 -58.02 4.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.6 p -114.73 -43.63 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 130.05 12.05 2.44 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -72.39 116.59 13.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 90.6 p -90.86 159.96 15.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.409 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 87.0 m-85 -149.24 164.74 33.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -83.42 -48.38 10.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.446 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -114.05 157.7 22.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.506 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 29.3 tptt -54.55 -66.16 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -36.1 -62.75 0.7 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.451 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 118' ' ' GLY . 69.5 m-20 -37.95 -51.34 1.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.88 0.371 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.409 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 12.4 tp -66.38 -50.46 63.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.9 t -45.74 -47.09 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -61.85 -35.27 77.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.844 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.3 t60 -66.06 -47.28 74.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -51.22 -33.01 26.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -52.08 -22.27 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.844 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.7 pt -71.81 -32.41 44.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 128' ' ' THR . 91.7 m-70 -75.2 -51.52 13.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 127' ' ' HIS . 61.7 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 82.8 p -69.63 150.77 46.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.1 m -40.42 -53.57 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.01 45.58 1.09 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.513 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.4 m -93.43 114.85 27.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.372 . . . . 0.0 110.904 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.6 p -140.01 171.65 13.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 70.24 76.76 0.5 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.7 p -94.62 -24.07 17.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.356 . . . . 0.0 111.153 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.63 -88.43 0.2 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -160.32 117.67 2.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.904 0.383 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.498 ' CE ' ' O ' ' A' ' 114' ' ' PHE . 12.7 mtpp -99.0 156.63 35.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.618 0.723 . . . . 0.0 110.843 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -7.65 21.61 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.679 2.253 . . . . 0.0 112.372 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' A' ' 116' ' ' ALA . 26.2 m-85 -151.27 107.28 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -123.52 146.57 47.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 108' ' ' THR . 12.8 t -91.91 72.7 5.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 107' ' ' CYS . 5.5 t -34.25 -37.13 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 107' ' ' CYS . 75.1 m-70 -45.23 -58.0 3.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 27.3 p -114.17 -42.83 3.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 127.87 14.98 2.43 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.0 tptt -74.62 116.7 15.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.771 0.32 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 85.0 p -91.92 159.39 15.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.498 ' O ' ' CE ' ' A' ' 103' ' ' LYS . 84.7 m-85 -148.56 170.4 18.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -90.45 -43.7 10.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.423 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -117.52 156.64 27.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.514 ' O ' HG23 ' A' ' 121' ' ' VAL . 46.3 tptt -54.83 -58.47 7.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -42.46 -62.75 2.07 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.474 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -38.33 -51.9 1.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.441 HD13 ' CD1' ' A' ' 114' ' ' PHE . 17.7 tp -65.15 -51.68 59.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 117' ' ' LYS . 93.5 t -44.99 -47.13 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -61.64 -34.82 76.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.831 ' O ' HG23 ' A' ' 126' ' ' ILE . 22.9 t60 -68.74 -47.75 65.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -51.81 -31.68 28.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -53.62 -21.03 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.831 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.6 pt -73.0 -30.44 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 128' ' ' THR . 94.9 m-70 -78.37 -52.51 8.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 127' ' ' HIS . 58.4 p -34.73 145.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -72.7 -54.65 7.2 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -45.92 151.77 0.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.38 . . . . 0.0 110.91 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.86 126.35 23.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 68.4 p -107.54 -41.07 5.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 63.5 146.22 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 -172.46 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.5 t -101.11 -56.93 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 70.5 m -146.4 175.93 10.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.527 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.552 -0.219 . . . . 0.0 112.552 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.4 t -39.85 128.88 2.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 0.0 110.825 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.2 t -42.88 -55.16 3.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.74 107.1 2.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.533 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.3 t -113.46 123.52 50.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.809 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.1 t -55.88 -56.11 24.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.96 -80.5 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.8 t -161.61 157.15 24.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.873 0.368 . . . . 0.0 111.147 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 92.91 137.04 7.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -127.41 148.04 50.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.341 . . . . 0.0 110.927 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -95.47 151.77 38.81 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -8.32 23.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.632 2.221 . . . . 0.0 112.336 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.537 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 29.0 m-85 -149.88 105.22 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -122.28 140.01 53.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 108' ' ' THR . 33.5 t -88.12 75.39 8.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 107' ' ' CYS . 9.1 t -37.07 -38.18 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -42.33 -59.76 1.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.809 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 27.9 p -114.09 -41.73 3.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.54 11.78 2.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -72.22 116.09 12.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.5 p -93.0 163.0 13.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.811 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -151.59 172.32 16.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -91.65 -42.46 10.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.485 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -118.86 157.67 27.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.043 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 18.9 tptp -55.53 -60.53 3.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 119' ' ' ASN . . . -40.59 -63.96 1.3 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.494 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 118' ' ' GLY . 12.5 m120 -37.9 -50.27 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.917 0.389 . . . . 0.0 110.914 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 14.4 tp -66.42 -49.51 66.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 117' ' ' LYS . 88.7 t -46.39 -48.53 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -60.23 -32.78 71.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.825 ' O ' HG23 ' A' ' 126' ' ' ILE . 23.7 t60 -71.07 -47.39 58.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -51.82 -31.68 28.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -53.59 -21.19 6.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.825 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.5 pt -73.37 -29.26 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.45 ' O ' ' C ' ' A' ' 128' ' ' THR . 94.8 m-70 -81.73 -50.45 9.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 127' ' ' HIS . 57.9 p -34.13 144.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -125.32 63.52 0.58 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.457 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.434 ' O ' ' CD ' ' A' ' 130' ' ' GLU . 2.2 pp20? -110.71 41.2 1.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 110.918 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -150.25 143.4 24.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 133' ' ' GLY . 12.0 t -116.68 102.39 9.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 132' ' ' SER . . . 37.98 -158.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 149.58 66.96 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.266 . . . . 0.0 112.304 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 94.7 p -116.4 -21.07 9.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 25.5 p -159.84 126.45 4.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.487 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.6 p -113.22 162.14 16.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.37 . . . . 0.0 110.834 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.6 t -115.16 -43.47 3.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.99 54.73 28.62 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.532 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 40.5 m -127.78 133.57 49.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 110.903 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.6 t -75.19 138.95 42.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 94.94 45.77 3.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.456 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.8 p -108.31 120.76 43.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 111.18 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 171.83 74.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -164.74 157.39 16.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.903 0.382 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -73.07 144.83 85.43 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.581 0.705 . . . . 0.0 110.874 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.405 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.3 Cg_endo -69.74 -9.06 25.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 27.4 m-85 -148.8 110.91 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -123.31 144.48 49.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 108' ' ' THR . 22.8 t -91.14 72.77 6.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 107' ' ' CYS . 9.8 t -34.24 -37.59 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.176 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.403 ' N ' ' O ' ' A' ' 107' ' ' CYS . 98.9 m-70 -43.11 -59.05 2.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.5 p -113.61 -43.69 3.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 131.24 6.89 3.34 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -67.68 116.19 8.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.0 p -92.89 156.28 17.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.428 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 89.0 m-85 -145.47 165.05 29.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 9.0 tpt85 -88.25 -43.22 11.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.622 ' HB3' HD22 ' A' ' 119' ' ' ASN . . . -113.54 154.13 27.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.584 ' O ' HG23 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -56.77 -54.55 44.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -47.15 -60.46 5.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.622 HD22 ' HB3' ' A' ' 116' ' ' ALA . 34.5 m-80 -39.92 -48.88 2.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.888 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.428 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 14.5 tp -67.95 -49.81 59.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 117' ' ' LYS . 90.5 t -46.04 -46.31 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -63.52 -33.4 75.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.789 ' O ' HG23 ' A' ' 126' ' ' ILE . 24.5 t60 -67.69 -47.33 69.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.821 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -51.27 -32.0 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -52.85 -24.34 8.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.789 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.2 pt -70.64 -34.94 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.069 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 128' ' ' THR . 87.2 m-70 -71.38 -54.03 12.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 127' ' ' HIS . 58.5 p -35.28 143.14 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -102.65 86.5 0.56 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.454 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -132.68 168.03 19.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 33.7 tttp -139.29 146.21 40.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 30.1 m -89.86 130.06 36.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 168.39 -168.42 40.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 123.92 10.57 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.698 2.265 . . . . 0.0 112.369 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 96.5 p -111.92 160.75 17.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 94.7 p -122.64 41.8 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.495 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.9 m -100.98 -58.61 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.883 0.373 . . . . 0.0 110.907 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.5 t -75.98 96.45 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -165.88 103.44 0.21 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.3 p -66.42 -46.61 75.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.36 . . . . 0.0 110.9 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.4 p -59.15 139.99 56.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -114.64 164.45 12.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 22.2 m -139.93 128.85 23.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 173.13 -130.93 1.97 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -141.54 116.84 10.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.895 0.379 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -126.01 149.13 65.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.622 0.725 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.505 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.9 Cg_endo -69.74 -6.72 19.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 23.2 m-85 -147.79 105.74 3.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -121.33 139.43 53.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 108' ' ' THR . 18.7 t -85.96 76.33 9.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 107' ' ' CYS . 9.7 t -34.77 -40.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -42.07 -58.58 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.794 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.8 p -114.65 -42.97 3.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 126.97 16.05 2.47 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -74.34 115.9 14.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.794 0.331 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 88.8 p -90.54 161.54 15.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.434 ' CD1' HD13 ' A' ' 120' ' ' LEU . 89.5 m-85 -151.17 167.39 27.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.8 mtm180 -83.94 -44.21 14.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.539 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -120.11 160.07 23.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -55.75 -61.02 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 119' ' ' ASN . . . -39.47 -68.16 0.54 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 118' ' ' GLY . 4.1 m120 -34.49 -46.35 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.362 . . . . 0.0 110.883 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.434 HD13 ' CD1' ' A' ' 114' ' ' PHE . 18.7 tp -69.4 -48.89 59.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.3 t -46.87 -46.54 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.4 m -62.12 -33.43 74.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.825 ' O ' HG23 ' A' ' 126' ' ' ILE . 19.8 t60 -68.49 -47.81 66.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -50.5 -33.76 22.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -50.97 -25.44 4.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.825 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.5 pt -68.68 -31.85 52.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 128' ' ' THR . 92.2 m-70 -77.18 -50.39 13.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 127' ' ' HIS . 60.7 p -36.75 -48.88 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 51.63 52.46 33.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.468 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.42 ' O ' ' CD ' ' A' ' 130' ' ' GLU . 0.5 OUTLIER -72.37 -25.31 61.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.913 0.387 . . . . 0.0 110.907 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.08 158.67 42.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 87.7 p -40.87 107.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.69 164.66 34.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 0.12 6.09 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 12.5 m -96.91 109.94 22.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.816 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 19.8 m -71.96 -45.18 61.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 91.2 p -70.09 147.13 50.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 0.0 110.86 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.3 t -78.75 -44.3 23.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -143.99 107.91 0.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 66.2 m -72.22 160.5 32.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.877 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.3 p -120.84 124.49 45.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 133.88 146.56 5.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.457 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.2 t -118.78 -14.72 9.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.328 . . . . 0.0 111.15 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.9 165.66 25.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.451 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.491 ' N ' ' OE1' ' A' ' 102' ' ' GLN . 5.1 pm0 -123.87 137.66 54.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 110.914 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.421 ' HE2' ' C ' ' A' ' 114' ' ' PHE . 10.8 mtpp -118.99 156.06 52.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.547 0.689 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.431 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.5 Cg_endo -69.81 -6.75 19.36 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.647 2.232 . . . . 0.0 112.345 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 20.7 m-85 -150.76 106.84 3.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -123.93 144.52 49.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 109' ' ' HIS . 8.7 t -88.38 72.79 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.2 t -36.39 -29.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 107' ' ' CYS . 60.6 m-70 -52.21 -57.1 10.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.825 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.9 p -115.12 -42.57 3.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.99 13.69 2.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -74.46 116.58 15.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 97.1 p -91.85 157.56 16.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.52 ' CD1' HD13 ' A' ' 120' ' ' LEU . 88.0 m-85 -147.04 169.16 19.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -88.04 -46.65 9.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -116.04 151.47 35.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 20.5 tptt -50.48 -60.03 3.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -40.55 -62.11 1.69 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -40.04 -53.04 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.381 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.52 HD13 ' CD1' ' A' ' 114' ' ' PHE . 15.6 tp -63.21 -48.38 78.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 117' ' ' LYS . 97.4 t -47.3 -49.88 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.6 m -58.94 -35.34 72.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.888 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.2 t60 -66.68 -48.97 67.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -50.64 -35.06 28.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 125' ' ' ARG . 12.1 mtp-105 -50.17 -21.25 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.888 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.1 pt -71.75 -34.22 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -74.1 -65.06 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 129' ' ' GLY . 6.7 t -74.45 -46.04 42.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.467 ' N ' HG23 ' A' ' 128' ' ' THR . . . 41.65 38.62 2.3 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.446 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -113.73 39.51 2.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.919 0.39 . . . . 0.0 110.865 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -76.17 -55.33 5.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 92.1 p -103.38 141.75 35.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -158.05 -69.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.448 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -2.94 11.08 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.713 2.276 . . . . 0.0 112.326 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.6 m -67.99 108.52 3.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 52.7 p -106.57 152.45 23.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.6 m -99.62 -61.27 1.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.879 0.371 . . . . 0.0 110.824 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.5 m -97.85 -55.13 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 119.52 -167.62 13.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.5 m -128.21 155.44 44.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.4 t -64.62 115.2 4.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 97.66 144.99 18.2 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 96.0 m -130.84 123.13 28.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.86 0.362 . . . . 0.0 111.097 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 172.64 -137.01 3.99 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -158.95 137.75 11.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.883 0.373 . . . . 0.0 110.892 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.456 ' HD3' ' CB ' ' A' ' 113' ' ' SER . 2.6 mptp? -129.47 153.42 80.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.59 0.709 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -12.88 33.85 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.723 2.282 . . . . 0.0 112.309 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.504 ' CE2' ' HA ' ' A' ' 116' ' ' ALA . 31.2 m-85 -146.03 107.25 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -121.97 139.68 53.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 109' ' ' HIS . 8.9 t -84.12 75.57 10.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.8 t -38.22 -28.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.159 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 107' ' ' CYS . 83.9 m-70 -54.39 -49.65 69.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.8 p -122.62 -42.04 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.33 9.22 3.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -69.87 116.48 10.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.35 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.456 ' CB ' ' HD3' ' A' ' 103' ' ' LYS . 87.5 p -91.48 162.47 14.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 113' ' ' SER . 75.5 m-85 -151.24 175.84 11.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -93.98 -44.13 8.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.504 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -118.43 159.8 22.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.528 ' O ' HG23 ' A' ' 121' ' ' VAL . 21.3 tptp -56.77 -58.44 8.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -43.15 -61.93 2.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -38.37 -51.12 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.839 0.352 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.417 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 13.8 tp -66.43 -51.06 60.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 117' ' ' LYS . 99.0 t -44.71 -47.11 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -61.67 -33.76 74.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.824 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.3 t60 -69.88 -47.72 61.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -50.97 -32.51 21.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -52.3 -25.12 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.824 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.9 pt -68.26 -32.5 56.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 128' ' ' THR . 93.1 m-70 -75.09 -53.18 9.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 127' ' ' HIS . 61.3 p -34.89 143.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -144.91 70.48 0.38 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.462 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -111.85 45.72 1.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.383 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -81.04 49.47 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 54.6 p -90.62 151.46 21.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 116.39 170.34 15.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 112.29 3.03 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.338 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 58.4 m -79.14 122.44 26.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.7 t -150.21 120.06 7.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.485 -179.945 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.6 t -92.66 151.65 19.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.83 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.5 t -103.15 -53.36 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.56 95.13 2.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.3 p -169.9 150.57 3.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.5 t -120.58 116.44 25.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -108.22 -147.16 12.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.9 p -48.36 175.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 111.132 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.09 -62.12 1.61 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.461 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -145.67 155.08 42.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 114' ' ' PHE . 14.3 mtpp -130.45 155.11 81.54 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.479 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.3 Cg_endo -69.78 -9.31 25.78 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 20.9 m-85 -147.28 105.68 3.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -121.23 150.86 40.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 108' ' ' THR . 22.5 t -94.39 73.97 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 107' ' ' CYS . 4.6 t -35.43 -37.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -46.13 -55.85 6.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.5 p -116.52 -44.84 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 132.28 7.81 2.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 31.9 tptt -65.67 119.13 10.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.786 0.327 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.3 p -95.91 160.47 14.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.85 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.462 ' N ' ' HD3' ' A' ' 103' ' ' LYS . 84.4 m-85 -150.81 170.27 19.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 -88.72 -44.84 10.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.523 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -117.24 156.78 27.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 27.9 tttt -53.88 -66.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -35.83 -52.51 1.15 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -47.13 -47.74 23.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.853 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.0 tp -71.98 -48.55 44.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.3 t -47.71 -44.23 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.4 m -66.65 -32.0 73.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.796 ' O ' HG23 ' A' ' 126' ' ' ILE . 27.5 t60 -70.1 -47.12 63.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -51.66 -31.31 25.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 56.1 mtt-85 -53.66 -22.24 8.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.796 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.3 pt -73.5 -28.31 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.19 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 128' ' ' THR . 89.4 m-70 -79.36 -52.01 8.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 127' ' ' HIS . 60.0 p -35.79 113.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -83.65 51.11 4.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -73.24 -59.53 2.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 50.4 mttt -84.23 39.94 0.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 64.6 p -72.08 163.76 27.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -99.61 146.03 17.74 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.467 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 158.57 56.48 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.365 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 136' ' ' SER . 31.3 t -72.5 -44.0 62.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 135' ' ' SER . 50.7 p 36.56 43.23 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.7 m -118.74 149.26 41.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.339 . . . . 0.0 110.908 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.5 p -107.17 -8.59 16.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.76 -171.39 51.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.437 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.3 t -75.39 98.79 3.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.832 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.2 p -143.36 124.16 14.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -106.58 176.84 21.77 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.0 t -85.49 154.36 21.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.807 0.337 . . . . 0.0 111.12 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.24 -172.19 44.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -122.84 146.65 47.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.88 0.371 . . . . 0.0 110.925 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -101.01 161.56 23.33 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.577 0.703 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.416 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.8 Cg_endo -69.76 -5.8 17.07 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.689 2.26 . . . . 0.0 112.339 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.553 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 44.9 m-85 -147.7 106.48 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -122.97 141.1 52.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 108' ' ' THR . 17.3 t -88.94 74.95 8.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 107' ' ' CYS . 6.6 t -35.47 -39.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -41.91 -59.25 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.3 p -114.34 -43.69 3.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 130.04 12.62 2.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -72.66 116.32 12.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.766 0.317 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 78.7 p -93.02 158.95 15.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.824 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.517 ' CD1' HD13 ' A' ' 120' ' ' LEU . 88.3 m-85 -148.75 166.09 29.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -83.05 -47.24 11.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.453 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -116.73 157.04 26.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 21.0 tttm -53.81 -66.53 0.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -34.5 -62.99 0.49 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.486 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -39.99 -49.44 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.517 HD13 ' CD1' ' A' ' 114' ' ' PHE . 19.3 tp -68.27 -50.41 53.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 68.1 t -45.13 -45.26 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.3 m -63.84 -34.7 78.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.876 ' O ' HG23 ' A' ' 126' ' ' ILE . 17.9 t60 -65.89 -48.07 72.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -50.73 -34.68 27.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 125' ' ' ARG . 9.0 mtp-105 -50.44 -21.27 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.876 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.9 pt -72.52 -32.47 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 128' ' ' THR . 95.0 m-70 -76.75 -51.45 11.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 127' ' ' HIS . 72.4 p -35.32 140.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -71.29 -101.92 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 61.79 41.67 11.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.906 0.384 . . . . 0.0 110.899 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 46.0 tptt -117.84 97.53 5.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.2 m -43.27 140.07 1.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 75.62 148.38 2.07 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 146.1 59.1 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.718 2.278 . . . . 0.0 112.307 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 50.1 p -136.43 161.43 35.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 41.0 m -95.09 -53.41 3.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.7 m -43.16 -56.0 3.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 110.844 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.2 m -101.49 91.25 4.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -162.55 80.1 0.14 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.3 m -83.17 -51.76 7.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 110.904 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.7 p -111.29 148.52 32.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -104.37 -143.01 11.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.446 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 33.4 p -52.16 176.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 111.145 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -156.45 118.63 0.85 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -137.13 105.47 5.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.895 0.379 . . . . 0.0 110.899 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -131.37 153.0 81.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.574 0.702 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -11.48 30.9 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 41.0 m-85 -146.22 105.03 3.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -122.77 139.11 54.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 108' ' ' THR . 20.6 t -87.0 73.98 9.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 107' ' ' CYS . 7.7 t -34.09 -39.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -41.69 -61.18 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.1 p -111.58 -43.82 3.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 128.4 17.38 1.96 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.4 tptt -76.3 116.66 17.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 53.3 p -93.2 158.65 15.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 88.9 m-85 -148.34 169.34 20.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -85.66 -45.5 11.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.475 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -116.51 169.35 9.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.088 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 18.0 tttt -65.12 -66.29 0.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -35.16 -61.35 0.66 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.451 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -39.72 -51.58 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.357 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.43 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 13.6 tp -67.65 -48.99 65.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 92.7 t -46.81 -46.47 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.4 m -63.98 -34.26 77.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.116 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.88 ' O ' HG23 ' A' ' 126' ' ' ILE . 15.7 t60 -65.44 -47.43 76.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.806 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -50.44 -34.86 26.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.968 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 40.4 mtp85 -50.07 -22.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.88 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.4 pt -70.55 -34.02 55.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 128' ' ' THR . 94.4 m-70 -75.64 -50.17 16.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 127' ' ' HIS . 71.7 p -36.6 110.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -83.72 40.8 2.9 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -110.48 97.74 7.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.912 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.25 142.72 16.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 31.6 t -119.58 101.2 7.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -162.08 -158.24 9.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -7.61 21.5 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.329 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.2 t 39.26 47.02 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 68.4 m -63.57 -54.41 36.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.7 t -78.66 105.16 9.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.914 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 36.3 t -148.03 117.7 7.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.822 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -108.97 -131.28 6.29 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 53.2 p -157.91 134.39 9.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.83 0.348 . . . . 0.0 110.875 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.4 p -39.04 -51.91 1.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 128.11 -111.36 1.27 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 31.5 p -85.16 173.17 10.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 111.159 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 175.25 -99.59 0.14 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.18 160.04 21.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.897 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -125.92 159.05 63.56 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -15.45 37.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.337 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' A' ' 116' ' ' ALA . 26.6 m-85 -144.73 105.85 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -123.31 140.87 52.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 108' ' ' THR . 15.0 t -87.04 72.65 10.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 107' ' ' CYS . 10.1 t -34.12 -38.32 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.152 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -42.55 -59.94 1.71 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.7 p -112.39 -43.97 3.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.07 17.93 1.76 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -78.03 115.66 17.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.319 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.0 p -89.93 162.85 15.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -151.81 174.68 13.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -91.76 -47.42 7.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.808 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.567 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -114.48 174.03 6.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.049 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.641 ' O ' HG23 ' A' ' 121' ' ' VAL . 12.8 tptm -69.99 -52.38 24.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -48.25 -60.13 5.9 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -40.2 -50.82 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 16.0 tp -65.93 -51.46 58.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 117' ' ' LYS . 86.6 t -45.34 -47.65 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.4 m -61.04 -32.75 72.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.901 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.4 t60 -70.88 -47.89 56.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -50.52 -35.1 27.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -50.07 -21.28 1.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.901 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.2 pt -72.43 -33.15 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 128' ' ' THR . 92.5 m-70 -73.94 -53.35 10.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 127' ' ' HIS . 72.2 p -35.44 115.41 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -56.26 -88.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 54.11 41.6 31.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.93 0.395 . . . . 0.0 110.905 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -164.4 108.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 69.3 p -100.06 104.8 16.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 94.38 145.51 18.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 133.82 26.49 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 136' ' ' SER . 2.0 m -83.48 80.26 9.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 135' ' ' SER . 35.1 t 37.39 41.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.794 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.6 t -134.64 -46.23 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.827 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.7 p -50.84 167.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -166.07 -71.43 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.5 t -50.5 97.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.878 0.371 . . . . 0.0 110.879 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.6 p -125.82 107.29 10.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 171.01 -67.26 0.14 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.1 t -67.1 137.28 56.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 111.177 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 177.45 -50.63 0.1 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.429 ' C ' ' HD2' ' A' ' 103' ' ' LYS . 8.5 tm0? -169.52 138.22 1.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 110.916 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.429 ' HD2' ' C ' ' A' ' 102' ' ' GLN . 0.7 OUTLIER -143.41 156.46 60.55 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.592 0.71 . . . . 0.0 110.902 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.42 ' O ' ' CD1' ' A' ' 105' ' ' PHE . 53.8 Cg_endo -69.72 -6.01 17.55 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.709 2.272 . . . . 0.0 112.324 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.444 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 27.4 m-85 -154.4 105.0 2.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -121.46 144.15 48.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 108' ' ' THR . 23.5 t -91.55 74.02 5.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 107' ' ' CYS . 10.1 t -35.7 -38.48 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.159 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -42.65 -60.22 1.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 28.2 p -112.86 -43.1 3.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.15 14.49 2.21 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -74.58 117.39 16.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.735 0.302 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.404 ' C ' ' CD1' ' A' ' 114' ' ' PHE . 85.3 p -94.47 161.51 14.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 113' ' ' SER . 80.0 m-85 -150.69 173.17 14.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 -93.47 -41.47 9.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.415 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -116.86 159.68 22.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.599 ' O ' HG23 ' A' ' 121' ' ' VAL . 15.9 tptm -60.33 -54.65 43.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -46.68 -58.54 5.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -41.78 -50.83 4.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.6 tp -66.03 -48.4 71.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 117' ' ' LYS . 89.6 t -47.35 -47.07 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -62.47 -33.01 73.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.169 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.848 ' O ' HG23 ' A' ' 126' ' ' ILE . 21.2 t60 -69.68 -47.83 61.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -51.9 -31.74 29.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -53.76 -19.35 4.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.848 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.8 pt -74.5 -31.85 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -80.57 -45.16 17.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 80.6 p -38.85 138.94 0.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -105.47 65.78 0.28 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -125.07 41.13 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.947 0.403 . . . . 0.0 110.921 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.1 155.69 47.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 98.8 p -95.64 147.25 23.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 179.62 146.25 6.74 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 91.39 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.653 2.235 . . . . 0.0 112.321 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 31.0 t -83.59 110.0 17.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 39.1 t -64.63 -49.66 70.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.545 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.6 m -116.58 167.85 10.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.837 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 95.9 p -99.96 127.75 46.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.13 55.14 14.04 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.46 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.8 p -58.56 133.38 55.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.876 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.7 m -45.74 -50.44 13.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 105.1 157.45 23.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.457 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.1 t -120.55 -24.64 5.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 111.155 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 148.17 -121.1 1.29 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.457 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -162.67 150.02 13.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 110.945 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.427 ' HD3' ' C ' ' A' ' 114' ' ' PHE . 19.9 mttp -123.67 161.76 44.38 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.529 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.9 Cg_endo -69.75 -4.83 14.81 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.737 2.291 . . . . 0.0 112.339 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.544 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 30.4 m-85 -145.21 106.96 4.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -125.45 141.64 51.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 108' ' ' THR . 19.2 t -91.19 71.91 6.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 107' ' ' CYS . 7.4 t -36.77 -34.54 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -44.97 -57.87 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.9 p -114.86 -42.09 3.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 130.17 10.58 2.72 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.0 tptt -73.03 116.62 13.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.319 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 97.2 p -93.06 159.58 15.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.427 ' C ' ' HD3' ' A' ' 103' ' ' LYS . 85.4 m-85 -149.3 163.71 36.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 14.0 ttt-85 -87.33 -42.81 12.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -116.59 159.34 22.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.544 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 11.2 tptp -57.85 -61.94 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -39.71 -62.22 1.44 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -39.43 -48.78 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.16 -50.65 53.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 117' ' ' LYS . 65.0 t -45.53 -48.01 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.4 m -60.4 -34.05 73.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.802 ' O ' HG23 ' A' ' 126' ' ' ILE . 27.3 t60 -70.27 -47.5 60.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -51.31 -31.81 22.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -53.04 -23.87 8.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.802 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.3 pt -71.39 -30.47 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 128' ' ' THR . 90.6 m-70 -78.46 -52.15 8.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.834 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 127' ' ' HIS . 65.9 p -35.48 138.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.192 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -100.17 73.97 0.45 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -153.86 137.19 15.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.941 0.401 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.9 tttm -122.62 88.79 2.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 69.8 m 45.06 39.79 4.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -100.38 -158.33 27.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.537 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 179.39 3.74 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.721 2.281 . . . . 0.0 112.303 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 39.3 t -79.69 138.66 37.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 92.9 p -68.8 132.02 46.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.458 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.8 t -69.49 169.03 13.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 110.887 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.9 t -130.77 128.36 40.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.71 150.82 51.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 91.0 p -94.25 -44.36 8.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.359 . . . . 0.0 110.852 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.9 m -131.07 144.77 51.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 123.04 -53.31 0.74 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.8 t -57.51 136.46 56.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.797 0.332 . . . . 0.0 111.135 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -130.03 -99.51 0.87 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.477 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -161.02 109.7 1.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.379 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.465 ' N ' ' HE2' ' A' ' 103' ' ' LYS . 0.3 OUTLIER -88.03 159.74 47.74 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.57 0.7 . . . . 0.0 110.858 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.401 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.6 Cg_endo -69.78 -14.46 36.04 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.504 ' CE2' ' HA ' ' A' ' 116' ' ' ALA . 23.9 m-85 -145.59 105.01 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -122.39 145.29 48.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 109' ' ' HIS . 9.4 t -88.98 76.09 7.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.9 t -40.67 -26.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 107' ' ' CYS . 96.8 m-70 -54.31 -58.87 5.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.854 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.1 p -112.31 -43.11 3.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 130.02 13.01 2.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.1 tptt -74.81 115.74 14.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.742 0.306 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 58.1 p -91.89 159.34 15.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -147.63 170.81 16.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 27.9 ttp85 -88.76 -45.17 10.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.504 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -116.04 169.1 9.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.468 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 18.1 tttt -64.77 -63.65 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 119' ' ' ASN . . . -38.08 -62.89 0.98 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 118' ' ' GLY . 0.1 OUTLIER -37.66 -51.98 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.367 . . . . 0.0 110.874 -179.852 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.415 HD23 ' HB3' ' A' ' 105' ' ' PHE . 14.1 tp -67.34 -51.65 49.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.1 t -45.02 -45.02 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -65.44 -33.41 75.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.855 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.0 t60 -67.84 -47.53 68.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.799 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -51.36 -33.0 27.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 47.2 mtp85 -52.32 -20.42 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.855 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.8 pt -73.44 -31.39 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 128' ' ' THR . 93.3 m-70 -77.02 -51.88 10.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 127' ' ' HIS . 72.8 p -36.68 146.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -142.55 73.56 0.36 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.474 ' O ' ' C ' ' A' ' 131' ' ' LYS . 9.2 pt-20 -103.76 107.7 18.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.93 0.395 . . . . 0.0 110.9 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER 32.35 41.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.4 t -69.86 -61.12 1.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 174.84 151.29 8.35 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 88.45 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.739 2.292 . . . . 0.0 112.327 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 60.0 p -125.14 40.79 3.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.2 t -43.0 -59.8 1.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.5 t -89.19 154.0 20.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.873 0.368 . . . . 0.0 110.851 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.4 m -59.73 -53.78 54.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -166.44 144.54 9.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.0 m -155.44 142.09 18.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.351 . . . . 0.0 110.855 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.7 p -103.59 40.96 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -137.61 138.66 9.83 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 86.9 m -118.71 116.87 27.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.37 . . . . 0.0 111.115 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 102' ' ' GLN . . . -89.58 57.1 3.82 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.464 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 101' ' ' GLY . 5.2 pt20 36.84 49.53 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.897 0.38 . . . . 0.0 110.9 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -38.92 147.94 0.27 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.59 0.71 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -5.81 17.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.335 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 39.0 m-85 -151.65 105.0 3.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -124.89 146.57 49.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 108' ' ' THR . 15.0 t -91.72 74.68 5.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 107' ' ' CYS . 8.1 t -33.79 -39.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.159 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -42.84 -59.38 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.0 p -112.99 -44.62 3.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.6 14.85 2.06 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -72.88 116.25 13.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.74 0.305 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.1 p -92.25 159.72 15.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.409 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 91.5 m-85 -149.14 177.98 9.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -95.02 -44.6 7.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.508 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -117.4 157.72 25.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 18.5 tptp -54.5 -58.18 8.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -43.44 -54.95 5.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -44.17 -52.06 7.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.409 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 10.8 tp -65.63 -48.81 70.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 117' ' ' LYS . 61.9 t -47.42 -51.56 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -57.58 -35.4 70.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.887 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.7 t60 -67.15 -48.08 69.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -50.94 -34.08 27.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -51.31 -19.27 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.887 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.3 pt -74.52 -32.59 30.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 128' ' ' THR . 93.1 m-70 -74.29 -54.2 8.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 127' ' ' HIS . 64.3 p -34.75 104.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -51.26 -42.62 49.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -40.02 136.0 1.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 0.0 110.905 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -98.09 132.3 43.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.7 m -124.69 129.66 50.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 55.83 168.19 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.521 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 166.1 28.69 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.727 2.284 . . . . 0.0 112.361 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 47.2 t -68.99 -48.85 62.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.0 m 64.14 43.53 4.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.892 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.473 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.7 t -86.24 106.66 17.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.883 0.373 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.5 p -67.29 -48.9 66.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.836 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -65.41 166.76 33.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.9 t -76.02 167.05 22.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.853 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.9 t -43.74 136.05 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.69 135.36 44.29 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.3 m -113.25 103.72 11.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.847 0.356 . . . . 0.0 111.127 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -164.66 -179.64 38.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -90.3 162.44 15.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.946 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -150.96 161.14 30.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.569 0.699 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -6.62 19.0 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.363 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.541 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 43.2 m-85 -148.75 106.05 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -123.87 143.4 50.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 108' ' ' THR . 18.6 t -90.86 72.65 6.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 107' ' ' CYS . 9.9 t -33.96 -38.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -42.75 -60.76 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.2 p -111.87 -43.84 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.25 17.01 1.84 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -76.82 117.64 18.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 82.6 p -93.83 158.38 15.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.446 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 89.8 m-85 -148.8 164.74 33.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 39.4 mtt85 -82.67 -46.99 12.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.432 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -117.34 154.2 31.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.541 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 4.5 ttpm? -50.72 -65.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -34.27 -62.98 0.46 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -39.91 -50.04 2.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.36 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.446 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 15.2 tp -68.42 -51.67 41.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.9 t -44.12 -46.42 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.3 m -62.93 -33.43 75.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.894 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.0 t60 -69.79 -47.68 61.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -51.42 -32.64 27.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 125' ' ' ARG . 14.4 mtp-105 -53.12 -17.93 1.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.894 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.6 pt -75.39 -30.38 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 128' ' ' THR . 96.5 m-70 -79.9 -50.72 10.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 127' ' ' HIS . 59.4 p -35.62 120.02 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -122.11 53.58 0.72 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -120.13 133.32 55.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -155.72 143.76 19.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 70.1 m -136.53 154.59 50.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 87.76 -157.29 28.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 171.44 14.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 5.1 m -98.65 130.68 45.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.816 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 47.0 p -124.69 140.13 53.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.855 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 44.6 p -144.9 118.29 9.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.944 0.402 . . . . 0.0 110.825 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 96.6 p -113.42 96.03 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 136.23 47.22 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.9 m -52.3 151.35 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 0.0 110.883 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.7 p -66.37 170.05 6.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 154.48 -143.83 10.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.1 p -123.42 -20.26 5.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.78 0.324 . . . . 0.0 111.119 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 149.39 129.59 1.76 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -76.1 159.06 31.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 0.0 110.949 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.55 161.49 39.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.61 0.719 . . . . 0.0 110.905 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.502 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.3 Cg_endo -69.79 -5.95 17.46 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.718 2.278 . . . . 0.0 112.326 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 22.4 m-85 -147.97 105.15 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -122.49 145.91 47.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 108' ' ' THR . 36.0 t -91.02 80.03 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 107' ' ' CYS . 10.2 t -36.41 -40.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.406 ' N ' HG23 ' A' ' 108' ' ' THR . 53.8 m80 -41.95 -64.76 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.4 p -109.29 -43.7 4.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 107' ' ' CYS . . . 129.06 13.84 2.34 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.471 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -69.34 115.67 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 90.6 p -91.13 162.14 14.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.573 ' CD1' HD13 ' A' ' 120' ' ' LEU . 88.9 m-85 -151.36 169.93 20.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 -87.79 -42.87 12.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.524 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -122.26 152.71 39.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 13.5 ttpt -48.81 -66.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -34.17 -66.61 0.28 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.436 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 118' ' ' GLY . 10.8 t-20 -36.7 -49.62 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.353 . . . . 0.0 110.868 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.573 HD13 ' CD1' ' A' ' 114' ' ' PHE . 19.9 tp -68.87 -51.75 36.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.1 t -43.61 -44.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.0 m -65.24 -33.68 76.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.909 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.9 t60 -67.03 -47.49 71.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -50.94 -33.58 25.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -51.93 -18.43 1.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.909 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.7 pt -75.49 -30.61 22.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 128' ' ' THR . 93.9 m-70 -77.38 -51.01 11.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 127' ' ' HIS . 61.0 p -36.64 145.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -85.25 69.33 3.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -116.05 -46.83 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -101.13 -59.27 1.73 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 28.6 m -87.4 94.56 9.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 78.78 62.64 2.22 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 159.59 52.83 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.382 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 48.1 t -95.46 161.44 14.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.4 m -38.87 -59.05 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.4 p -40.89 124.93 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.875 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.0 p -71.08 143.39 50.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 154.61 90.66 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.7 t -123.72 115.83 22.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.6 p -49.56 162.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -126.34 60.23 0.65 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.6 p -54.41 -35.43 62.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 0.0 111.13 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.57 163.27 23.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -77.54 143.35 38.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.944 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -119.5 154.86 54.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.579 0.704 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -10.48 28.71 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.712 2.274 . . . . 0.0 112.337 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.504 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 32.8 m-85 -147.63 106.46 3.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -122.56 141.64 51.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 109' ' ' HIS . 10.1 t -87.79 71.32 9.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 107' ' ' CYS . 4.8 t -34.09 -33.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.476 ' N ' ' O ' ' A' ' 107' ' ' CYS . 12.8 m-70 -47.82 -54.62 11.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 24.6 p -117.7 -42.08 2.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 127.2 17.41 2.21 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.527 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.6 tptt -78.3 115.98 18.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 82.7 p -90.26 163.57 14.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.826 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.404 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 90.9 m-85 -152.67 175.4 12.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -95.21 -44.52 7.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.812 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.457 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -117.98 157.48 26.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.554 ' O ' HG23 ' A' ' 121' ' ' VAL . 8.6 tptm -55.08 -54.19 46.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 119' ' ' ASN . . . -46.51 -62.73 3.44 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 118' ' ' GLY . 4.6 m-80 -38.03 -49.33 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.404 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 17.5 tp -67.47 -50.11 60.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 117' ' ' LYS . 97.6 t -45.73 -48.11 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.3 m -60.59 -33.32 72.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.891 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.0 t60 -70.44 -47.54 60.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -50.85 -34.03 26.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -51.17 -20.43 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.891 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.2 pt -73.72 -31.49 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 128' ' ' THR . 92.0 m-70 -75.6 -51.02 13.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 127' ' ' HIS . 64.5 p -36.57 -46.37 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.122 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 46.75 74.99 0.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.475 ' HG3' ' N ' ' A' ' 131' ' ' LYS . 18.6 pt-20 -120.31 -43.96 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.931 0.396 . . . . 0.0 110.868 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.475 ' N ' ' HG3' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -77.84 139.33 39.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 30.4 t -40.09 119.9 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -49.47 -179.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -24.34 29.53 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.347 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.2 t 41.48 43.58 2.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.2 m -73.65 -62.88 1.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.9 p -91.61 93.1 8.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 110.874 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 84.0 p -159.76 113.06 2.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 173.66 140.24 3.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.533 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 m -60.23 163.23 5.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 0.0 110.873 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.2 t -82.27 134.69 35.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.27 96.97 0.28 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.473 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 100' ' ' THR . 15.1 t -137.59 120.75 16.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 111.168 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.94 179.77 2.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -132.5 129.31 38.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -94.41 150.16 37.75 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.595 0.712 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.436 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.2 Cg_endo -69.83 -9.77 26.89 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.296 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.549 ' CE2' ' HA ' ' A' ' 116' ' ' ALA . 28.0 m-85 -146.81 108.65 4.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -123.25 141.65 51.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.42 ' O ' ' N ' ' A' ' 109' ' ' HIS . 13.9 t -87.56 74.37 9.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.4 t -37.1 -32.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 107' ' ' CYS . 95.2 m-70 -48.21 -59.23 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.813 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.9 p -114.83 -41.95 3.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.93 13.11 2.27 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.521 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -74.03 117.39 15.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.332 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.0 p -94.12 159.14 15.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.507 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 89.5 m-85 -148.4 168.43 22.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -83.67 -48.43 10.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.549 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -113.87 171.36 7.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.416 ' O ' HG23 ' A' ' 121' ' ' VAL . 13.6 tptp -66.17 -59.78 3.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -43.0 -53.84 5.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.45 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -45.04 -50.98 10.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.507 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 9.2 tp -67.85 -48.69 65.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 117' ' ' LYS . 93.4 t -47.2 -48.09 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.3 m -60.35 -32.28 71.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.115 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.85 ' O ' HG23 ' A' ' 126' ' ' ILE . 19.2 t60 -71.23 -47.3 58.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -51.22 -33.15 26.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 72.8 mtp85 -52.04 -21.16 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.85 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.7 pt -73.19 -30.72 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 128' ' ' THR . 91.7 m-70 -76.82 -51.81 10.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.813 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 127' ' ' HIS . 77.5 p -35.93 128.19 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -70.59 99.32 0.73 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.516 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -152.19 126.6 9.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.946 0.403 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.79 142.02 48.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 88.4 p -103.76 105.29 15.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -141.13 150.22 21.64 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 2.3 3.64 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 18.5 m -84.76 168.59 15.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.4 m -44.59 130.54 6.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.507 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.1 m -89.8 139.42 30.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 35.8 t -172.92 142.12 1.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 139.42 53.42 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 50.6 m -123.33 130.38 52.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.908 0.385 . . . . 0.0 110.841 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.3 m -82.49 91.27 6.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 63.09 114.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 41.0 p -50.93 141.02 14.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 111.128 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -113.57 166.32 12.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.528 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -78.73 159.38 27.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.426 ' NZ ' ' HG2' ' A' ' 115' ' ' ARG . 11.7 mtpt -121.54 154.94 59.91 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.556 0.693 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.407 ' O ' ' CD1' ' A' ' 105' ' ' PHE . 53.3 Cg_endo -69.8 -5.26 15.82 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.666 2.244 . . . . 0.0 112.329 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 24.4 m-85 -153.47 105.17 2.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -125.29 142.89 51.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 108' ' ' THR . 14.3 t -89.65 71.88 7.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 107' ' ' CYS . 9.6 t -34.4 -39.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -40.52 -60.78 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 26.1 p -111.22 -43.64 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.23 15.2 2.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.47 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.3 tptt -75.84 115.95 16.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.747 0.308 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 86.9 p -92.15 156.61 17.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.563 ' CD1' HD13 ' A' ' 120' ' ' LEU . 70.0 m-85 -145.47 171.68 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.426 ' HG2' ' NZ ' ' A' ' 103' ' ' LYS . 7.7 mmm-85 -91.94 -44.48 8.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -114.36 157.78 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.083 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.641 ' O ' HG23 ' A' ' 121' ' ' VAL . 39.8 tptt -58.86 -52.62 64.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -49.77 -62.59 4.78 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.527 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -39.28 -45.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.563 HD13 ' CD1' ' A' ' 114' ' ' PHE . 13.8 tp -69.85 -47.81 61.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 117' ' ' LYS . 99.3 t -48.46 -47.35 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.0 m -60.18 -34.33 73.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.92 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.7 t60 -67.5 -48.38 67.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -50.34 -35.49 28.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -49.86 -19.77 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.92 HG23 ' O ' ' A' ' 123' ' ' HIS . 4.5 pt -73.93 -34.35 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 128' ' ' THR . 93.1 m-70 -73.19 -53.24 11.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 127' ' ' HIS . 60.9 p -34.65 113.88 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.177 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -110.98 80.69 0.27 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.479 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -144.81 155.58 43.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.86 0.362 . . . . 0.0 110.912 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -156.29 127.03 6.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.2 t -94.25 169.59 10.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -139.18 -175.82 14.32 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -0.17 6.52 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.697 2.265 . . . . 0.0 112.333 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.2 m -138.28 136.91 36.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 25.5 p -119.07 126.21 51.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.1 m -130.82 171.9 12.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.881 0.372 . . . . 0.0 110.822 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.4 t -119.08 147.99 43.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -118.09 173.33 14.79 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.6 p -83.84 -41.81 17.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 110.904 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.7 m -84.37 119.45 25.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -90.47 -93.07 1.24 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 37.9 p -105.95 111.11 23.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.838 0.352 . . . . 0.0 111.169 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -109.45 -125.96 5.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.415 ' CD ' ' N ' ' A' ' 102' ' ' GLN . 0.1 OUTLIER -134.13 127.5 32.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.855 0.359 . . . . 0.0 110.908 -179.888 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -152.26 159.92 32.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.561 0.695 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.445 ' HG2' ' CD2' ' A' ' 105' ' ' PHE . 53.8 Cg_endo -69.81 -5.92 17.38 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.318 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.506 ' CE1' ' HB2' ' A' ' 117' ' ' LYS . 24.0 m-85 -150.41 106.94 3.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -122.82 142.82 50.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.0 t -87.69 75.66 8.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.1 t -37.35 -34.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -47.74 -58.02 4.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 25.6 p -114.73 -43.63 3.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 130.05 12.05 2.44 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -72.39 116.59 13.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 90.6 p -90.86 159.96 15.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.409 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 87.0 m-85 -149.24 164.74 33.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -83.42 -48.38 10.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.446 ' HA ' ' CE2' ' A' ' 105' ' ' PHE . . . -114.05 157.7 22.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.506 ' HB2' ' CE1' ' A' ' 105' ' ' PHE . 29.3 tptt -54.55 -66.16 0.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 117' ' ' LYS . . . -36.1 -62.75 0.7 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.451 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 118' ' ' GLY . 69.5 m-20 -37.95 -51.34 1.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.88 0.371 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.409 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 12.4 tp -66.38 -50.46 63.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.9 t -45.74 -47.09 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.5 m -61.85 -35.27 77.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.844 ' O ' HG23 ' A' ' 126' ' ' ILE . 18.3 t60 -66.06 -47.28 74.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -51.22 -33.01 26.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -52.08 -22.27 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.844 HG23 ' O ' ' A' ' 123' ' ' HIS . 3.7 pt -71.81 -32.41 44.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 128' ' ' THR . 91.7 m-70 -75.2 -51.52 13.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 127' ' ' HIS . 61.7 p -36.95 -45.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 52.23 68.41 1.58 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -101.12 83.71 2.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.932 0.396 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -119.6 84.1 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 67.0 p -134.92 105.69 6.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -100.24 159.86 19.3 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.458 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 137.87 36.62 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.65 2.233 . . . . 0.0 112.387 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.8 m -166.73 150.98 7.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.3 m -50.63 -56.96 9.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.493 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_