data_2rsh_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 2rsh _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.891 0.376 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.9 t -53.5 140.4 28.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 14' ' ' TYR . 18.4 t0 -87.22 -62.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' ASP . 15.2 m-85 -36.4 -43.97 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.8 p -129.99 165.8 21.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.3 m -98.5 58.85 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -103.65 133.84 47.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.1 p -106.95 133.39 51.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.134 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.8 p -112.79 177.51 4.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.06 -43.07 4.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 91.6 p -103.92 160.86 14.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -67.22 -47.2 71.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.61 -42.28 84.11 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -49.32 -36.95 22.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.2 tp -64.4 -38.06 89.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -71.22 -61.07 1.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.1 p -52.4 -18.58 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -66.67 -71.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.6 mp -61.81 -13.07 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -59.81 -51.67 68.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 ptt85 -120.85 -53.23 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.7 t -37.5 -34.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.939 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.794 0.33 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.8 t -68.87 122.75 19.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -77.01 -48.84 16.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -40.41 -62.22 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.1 p -120.7 173.31 7.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 m -90.2 59.88 4.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.583 ' CD2' ' ND1' ' A' ' 28' ' ' HIS . 32.8 t80 -103.88 141.03 36.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.8 p -152.36 150.6 29.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.184 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -142.2 173.23 11.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.487 ' C ' ' CD2' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -85.46 0.01 53.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -116.46 156.78 26.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm -83.85 -49.77 8.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.75 -14.55 7.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.524 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -55.61 -37.91 68.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.841 0.353 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.3 tp -63.07 -24.53 67.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -79.45 -60.44 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -61.61 -13.49 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.583 ' ND1' ' CD2' ' A' ' 17' ' ' PHE . 77.5 t60 -70.82 -70.78 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 mp -61.24 -26.84 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.414 ' O ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -66.56 -24.77 66.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -126.93 -64.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' A' ' 28' ' ' HIS . 90.6 t -41.74 -68.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.855 0.36 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -55.94 134.28 52.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -82.88 -47.07 12.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -52.96 -44.92 67.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.974 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.6 p -131.29 175.28 9.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 t -93.96 53.8 1.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 19' ' ' CYS . 7.4 t80 -91.99 125.29 36.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.5 p -114.18 138.76 50.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.109 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 2.9 t -148.07 169.43 19.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 tp -117.03 46.99 1.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.0 m -147.08 154.63 41.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -84.41 -42.14 15.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.32 -39.98 14.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -52.16 -18.26 1.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.473 ' O ' ' CD1' ' A' ' 29' ' ' ILE . 8.5 tp -85.97 -28.08 24.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -35.39 27.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.9 p -79.4 -24.7 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -58.03 -47.0 84.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.473 ' CD1' ' O ' ' A' ' 25' ' ' LEU . 4.5 mp -83.92 -34.79 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -60.2 -11.29 5.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.4 mmm-85 -123.86 -60.98 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.6 t -54.58 -74.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.832 0.348 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.8 t -47.38 143.36 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -85.86 -60.34 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.457 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 30.6 m-85 -41.38 -57.84 2.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 p -115.37 172.81 6.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.4 t -87.66 46.15 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -97.31 126.2 42.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.9 m -113.04 151.5 30.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.9 t -158.72 151.58 22.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.1 mt -85.91 -54.98 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.8 t -63.77 140.14 58.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -54.92 10.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.15 -39.81 42.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.486 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -52.87 -55.92 19.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.3 tp -55.99 -47.86 76.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -52.27 -58.96 5.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.7 t -58.05 -39.86 74.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -51.76 -54.9 23.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.421 ' CG2' ' HB2' ' A' ' 33' ' ' HIS . 17.5 mt -74.61 -35.16 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -64.29 -11.1 28.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -122.58 -61.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.2 t -55.59 -63.29 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.457 ' CE1' ' HB2' ' A' ' 14' ' ' TYR . 99.0 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.805 0.336 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.3 t -55.31 123.4 13.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.95 -43.92 28.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -40.04 -47.15 2.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.2 p -129.26 168.83 15.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 t -88.13 40.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -86.76 137.56 32.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.7 p -122.19 136.47 54.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.2 p -145.28 153.41 41.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.444 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 3.8 pp -114.27 42.96 1.97 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -163.26 117.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -43.56 -56.4 3.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -46.78 -51.3 13.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.541 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -45.77 -45.07 14.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.9 tp -61.45 -44.81 96.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -58.02 -53.61 56.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 28' ' ' HIS . 14.3 p -65.65 -30.16 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.507 ' CE1' HG13 ' A' ' 32' ' ' VAL . 40.5 t60 -59.67 -61.02 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.0 mt -63.33 -30.94 51.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -49.25 -36.96 21.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -117.61 -54.17 2.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.507 HG13 ' CE1' ' A' ' 28' ' ' HIS . 91.3 t -42.62 -43.33 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.503 ' CE1' HG11 ' A' ' 32' ' ' VAL . 52.6 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.858 0.361 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.8 t -57.93 135.54 56.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -77.23 -56.69 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.538 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 29.7 m-85 -40.7 -59.35 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.2 p -110.11 157.03 19.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.0 t -81.83 44.89 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -93.05 136.96 32.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.5 m -105.89 149.03 26.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.418 ' C ' HD21 ' A' ' 20' ' ' LEU . 2.1 t -146.62 166.67 25.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.418 HD21 ' C ' ' A' ' 19' ' ' CYS . 4.5 mm? -114.46 -45.47 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.1 p -95.86 156.64 16.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -74.7 -47.22 32.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -42.46 -59.21 3.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -49.24 -47.76 46.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.836 0.35 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.3 tp -56.54 -28.22 59.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -74.95 -59.48 2.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.401 HG11 ' N ' ' A' ' 28' ' ' HIS . 9.9 p -61.75 -18.52 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.547 ' CE1' ' CG1' ' A' ' 32' ' ' VAL . 34.1 t60 -65.12 -64.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.88 -41.8 87.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -40.02 -30.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.7 mtt-85 -123.47 -62.36 1.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.547 ' CG1' ' CE1' ' A' ' 28' ' ' HIS . 96.1 t -38.4 -47.24 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.538 ' CE1' ' CB ' ' A' ' 14' ' ' TYR . 94.3 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.846 0.355 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -56.14 125.9 23.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -71.44 -69.51 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.522 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 46.3 m-85 -34.5 -52.01 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 p -123.6 139.23 54.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.1 m -72.54 66.63 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.424 ' CE2' ' O ' ' A' ' 18' ' ' THR . 65.3 t80 -102.13 144.63 30.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.424 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 73.4 p -106.47 144.08 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.6 p -134.31 155.5 50.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mp -105.92 -57.13 2.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 24' ' ' HIS . 17.6 m -88.93 110.08 20.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 23' ' ' GLY . 1.2 pptp? -36.57 -34.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.466 ' N ' ' HD2' ' A' ' 22' ' ' LYS . . . -67.28 -44.4 85.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.518 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 21' ' ' SER . 18.7 t60 -50.62 -53.03 34.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.3 tp -36.9 -53.32 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -46.18 -46.7 17.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.0 t -59.35 -46.24 92.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.514 ' CE1' HG12 ' A' ' 32' ' ' VAL . 81.5 t60 -44.59 -64.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 31' ' ' ARG . 86.8 mt -63.21 -44.12 99.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.1 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -42.51 -23.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 29' ' ' ILE . 44.2 mtp85 -130.02 -65.87 0.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.514 HG12 ' CE1' ' A' ' 28' ' ' HIS . 57.6 t -40.44 -52.04 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.522 ' CE1' ' HB2' ' A' ' 14' ' ' TYR . 82.8 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.843 0.354 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.1 t -48.26 135.64 13.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -82.89 -54.77 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.585 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 79.6 m-85 -44.96 -46.99 11.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.5 p -125.13 173.04 9.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -88.82 43.61 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 6.7 t80 -93.16 135.5 34.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 33.9 m -142.7 153.63 43.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 m -149.99 162.03 41.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.406 ' C ' HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -64.88 -47.3 78.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.1 p -88.04 139.73 30.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -82.5 -49.71 9.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -43.08 -41.96 4.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -57.95 -49.65 76.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.4 tp -41.84 -31.29 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -58.26 -55.34 36.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.1 t -54.56 -38.48 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.124 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -54.24 -70.06 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.34 -40.09 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -38.62 -41.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -115.54 -52.67 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.3 t -46.61 -56.49 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.585 ' CE1' ' CB ' ' A' ' 14' ' ' TYR . 96.7 m-70 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.863 0.363 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.0 t -65.16 133.8 52.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 14' ' ' TYR . 1.1 m-20 -75.79 -56.28 4.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 13' ' ' ASP . 69.9 m-85 -35.13 -60.31 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.96 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 p -117.79 160.26 21.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -85.58 53.07 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -103.78 135.03 46.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.6 p -104.8 151.81 23.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.5 t -138.93 152.5 47.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -84.4 -56.71 3.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.7 m -90.97 138.5 31.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -64.45 -53.48 47.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -42.42 -39.75 3.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -60.02 -50.58 73.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 110.794 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.1 tp -45.55 -43.87 12.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -52.07 -42.14 62.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.5 t -78.68 -41.86 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -43.04 -45.55 5.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.6 mt -80.9 -37.95 16.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -58.89 -11.28 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -120.28 -58.84 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.521 HG13 ' CE1' ' A' ' 33' ' ' HIS . 49.1 t -58.84 -64.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.521 ' CE1' HG13 ' A' ' 32' ' ' VAL . 6.2 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.828 0.347 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.6 t -53.09 124.54 14.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -81.93 -44.36 16.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.428 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 96.2 m-85 -47.61 -44.62 26.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.5 p -129.86 177.96 6.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.8 t -94.28 43.62 1.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' A' ' 19' ' ' CYS . 78.2 t80 -86.3 152.77 22.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.4 p -139.58 143.95 37.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.411 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 1.8 t -158.06 158.06 34.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.8 mp -87.54 -62.7 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.458 ' HB3' ' CG ' ' A' ' 24' ' ' HIS . 1.5 t -47.4 150.97 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -85.55 -55.78 3.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.71 -33.79 55.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.508 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.458 ' CG ' ' HB3' ' A' ' 21' ' ' SER . 10.5 m170 -48.93 -45.8 42.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 110.828 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.0 tp -44.67 -23.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 tptp -83.08 -58.01 3.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.417 ' HA ' ' CD ' ' A' ' 30' ' ' GLU . 4.2 p -56.47 -13.17 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.456 ' CE1' HG21 ' A' ' 32' ' ' VAL . 17.9 t60 -80.02 -59.22 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.432 ' CG2' ' HB2' ' A' ' 33' ' ' HIS . 80.8 mt -66.21 -38.46 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.417 ' CD ' ' HA ' ' A' ' 27' ' ' VAL . 13.9 pt-20 -50.92 -18.98 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -123.71 -61.98 1.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.489 HG13 ' CD2' ' A' ' 33' ' ' HIS . 72.1 t -46.88 -55.13 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.489 ' CD2' HG13 ' A' ' 32' ' ' VAL . 73.3 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.857 0.36 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.7 t -56.19 151.8 11.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.49 -62.36 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -42.02 -57.01 2.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.9 p -115.23 169.36 9.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 m -94.04 52.01 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.575 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 24.9 t80 -99.78 147.79 25.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.1 t -156.45 169.9 23.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.2 m -157.38 174.85 14.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.54 43.01 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.0 m -163.48 154.77 16.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -80.5 -51.71 8.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.58 -40.13 77.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -49.39 -19.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 tp -92.92 -63.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -41.43 -39.81 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.3 t -80.02 -35.76 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.575 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 36.1 t60 -49.32 -57.59 6.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.3 mt -66.92 -41.17 87.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -46.1 -21.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -126.46 -64.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.567 HG21 ' CE1' ' A' ' 28' ' ' HIS . 76.1 t -39.7 -59.58 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.818 0.342 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.2 t -47.98 129.05 14.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -76.49 -45.39 31.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -45.33 -59.21 2.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 p -118.1 177.58 4.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.6 p -85.51 42.72 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.401 ' CE1' ' O ' ' A' ' 18' ' ' THR . 18.1 t80 -95.32 146.71 24.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.401 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 79.2 p -126.25 149.22 49.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.0 t -135.42 158.02 45.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -96.09 -30.4 13.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.6 t -112.49 154.16 26.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -63.06 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.13 -47.13 33.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -52.17 -46.53 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.3 tp -49.59 -62.69 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -39.42 -50.01 2.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 63.1 t -49.45 -50.75 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.553 ' CE1' HG21 ' A' ' 32' ' ' VAL . 13.4 t60 -51.15 -27.9 9.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.9 mm -80.97 -41.4 19.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -68.48 -11.11 59.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 31' ' ' ARG . 11.0 mtm105 -109.9 -36.98 5.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.553 HG21 ' CE1' ' A' ' 28' ' ' HIS . 69.2 t -92.94 -66.32 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.805 0.336 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.2 t -48.01 120.56 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -78.92 -45.47 20.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -43.79 -54.94 4.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.7 p -120.93 177.3 5.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.7 m -89.49 45.35 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.5 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 65.6 t80 -89.04 149.95 23.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.7 m -126.5 154.8 43.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 30.3 p -150.08 176.32 10.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mp -112.95 -50.15 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 t -72.99 172.89 10.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -85.16 -46.32 11.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.03 -16.71 76.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -55.23 -21.02 12.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.8 tp -83.15 -53.16 5.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 27' ' ' VAL . 45.1 pttt -56.24 -35.12 67.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.444 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 10.1 p -80.88 -31.29 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.681 ' CE1' ' CG1' ' A' ' 32' ' ' VAL . 64.1 t60 -51.3 -66.66 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 mp -57.3 -26.99 27.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -51.66 -41.28 61.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' VAL . 38.9 mtp180 -125.21 -59.15 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.681 ' CG1' ' CE1' ' A' ' 28' ' ' HIS . 62.3 t -34.03 -39.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.83 0.347 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.6 t -61.55 121.46 12.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.53 -52.4 8.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -40.94 -47.74 3.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 p -125.27 147.89 48.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -83.43 51.9 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -96.01 142.66 27.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.6 p -131.12 152.27 50.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.86 176.08 12.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.9 mt -96.55 -45.85 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.0 t -68.29 115.84 8.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -16.86 4.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 25' ' ' LEU . . . -85.12 -46.52 5.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 23' ' ' GLY . 2.8 t-80 -37.67 -28.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 23' ' ' GLY . 35.2 tp -76.44 -55.8 5.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -55.53 -34.3 64.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -84.92 -36.01 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.5 ' CG ' HG22 ' A' ' 32' ' ' VAL . 23.4 t60 -52.65 -61.94 1.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.8 mt -60.42 -42.16 90.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -38.46 -39.74 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 31' ' ' ARG . 22.8 mtm105 -112.7 -55.48 2.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.5 HG22 ' CG ' ' A' ' 28' ' ' HIS . 88.3 t -41.19 -53.99 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.417 ' NE2' HG11 ' A' ' 32' ' ' VAL . 81.6 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.822 0.344 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.0 t -58.57 146.64 35.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' TYR . 5.3 m-20 -89.01 -52.58 5.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.621 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 90.1 m-85 -36.78 -49.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -130.3 176.61 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.3 m -90.63 48.95 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.441 ' CD2' ' CG ' ' A' ' 28' ' ' HIS . 47.4 t80 -103.33 144.0 31.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.0 t -137.75 163.87 30.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.4 p -156.88 169.01 25.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.427 ' N ' HD11 ' A' ' 20' ' ' LEU . 10.2 mp -114.89 39.95 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.9 m -162.92 118.63 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 23' ' ' GLY . 13.2 ptpt -45.41 -37.79 5.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.404 ' N ' ' HG3' ' A' ' 22' ' ' LYS . . . -69.77 -44.09 64.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -51.02 -45.22 61.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.811 0.339 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.8 tp -61.66 -46.24 90.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -53.37 -47.04 69.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.838 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.2 t -73.38 -35.9 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.441 ' CG ' ' CD2' ' A' ' 17' ' ' PHE . 6.7 t60 -50.67 -32.48 19.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.423 ' CG2' ' HB2' ' A' ' 33' ' ' HIS . 23.6 mt -89.55 -52.2 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -49.92 -21.23 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.5 tpt85 -103.15 -35.97 8.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.0 t -91.36 -69.7 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.621 ' CE1' ' CB ' ' A' ' 14' ' ' TYR . 10.8 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.85 0.357 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.5 t -55.53 139.65 43.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -82.54 -53.02 6.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -45.44 -46.38 13.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.0 p -132.0 167.26 19.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 t -93.2 61.0 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.812 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -99.26 147.59 25.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.2 p -114.15 139.56 49.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.7 p -130.34 162.18 29.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 tp -98.97 -58.66 1.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.4 m -84.32 174.36 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -76.05 -59.88 2.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 26' ' ' LYS . . . -46.37 -49.45 15.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.47 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -39.38 -39.14 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.8 tp -66.49 -40.65 89.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 23' ' ' GLY . 3.7 tppp? -69.68 -53.0 20.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.7 p -65.25 -20.27 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -63.68 -47.87 79.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.443 ' CG2' ' HB2' ' A' ' 33' ' ' HIS . 53.3 mt -76.7 -31.89 20.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -62.22 -24.47 67.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.82 -48.18 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.549 HG12 ' CE1' ' A' ' 33' ' ' HIS . 76.9 t -68.52 -68.02 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.549 ' CE1' HG12 ' A' ' 32' ' ' VAL . 29.3 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.838 0.351 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.8 t -50.97 144.13 9.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -89.56 -59.28 2.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.403 ' HB2' ' NE2' ' A' ' 33' ' ' HIS . 82.9 m-85 -40.12 -43.37 1.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 p -133.93 158.81 42.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.3 t -84.95 73.83 10.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 19' ' ' CYS . 44.7 t80 -103.72 120.34 40.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.7 p -110.13 134.9 51.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 1.8 t -155.58 177.35 11.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mp -122.65 70.27 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.8 t -174.89 140.82 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -77.6 -55.91 4.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.22 -39.78 82.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 25' ' ' LEU . 5.3 m170 -46.88 -53.94 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 24' ' ' HIS . 37.0 tp -37.64 -57.32 0.98 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -54.44 -58.98 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.8 t -46.53 -52.33 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.56 ' CE1' HG21 ' A' ' 32' ' ' VAL . 41.6 t60 -45.42 -67.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.1 mt -54.37 -28.01 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -65.44 -32.78 74.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.41 28.96 6.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.567 HG13 ' CE1' ' A' ' 33' ' ' HIS . 19.3 t -134.77 -41.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.155 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.567 ' CE1' HG13 ' A' ' 32' ' ' VAL . 59.7 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.794 0.331 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.3 t -70.03 141.14 52.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.71 -64.21 1.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.525 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 45.3 m-85 -45.78 -64.05 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 p -105.61 173.0 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 90.9 p -96.14 66.02 2.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.45 ' CE2' ' HB3' ' A' ' 19' ' ' CYS . 12.5 t80 -97.83 134.94 40.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.3 p -111.66 144.86 40.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HB3' ' CE2' ' A' ' 17' ' ' PHE . 28.1 p -145.82 177.16 9.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 tp -102.67 -39.3 7.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.6 p -101.65 156.44 17.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.98 -17.56 30.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.49 -39.56 49.84 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -59.64 -41.3 90.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.89 0.376 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.6 tp -49.13 -48.23 44.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.43 -54.08 36.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.1 t -55.02 -43.82 71.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -49.97 -70.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.82 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.6 mt -57.53 -32.68 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -49.14 -40.05 31.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 31' ' ' ARG . 18.0 mtm105 -119.02 -60.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.3 t -39.5 -53.38 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.525 ' CE1' ' HB2' ' A' ' 14' ' ' TYR . 95.4 m-70 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.848 0.356 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.0 t -47.1 135.39 9.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -75.95 -54.91 6.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -43.35 -61.77 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.8 p -111.08 -179.17 3.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.0 p -105.99 43.94 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -103.94 145.83 29.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.0 t -153.09 168.28 26.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.142 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -158.9 174.69 14.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -93.5 42.69 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -155.98 109.84 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -59.21 -51.81 68.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.2 -47.15 50.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.435 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -49.84 -44.69 49.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.6 tp -51.41 -41.08 60.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -53.27 -50.1 65.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.8 t -68.59 -33.82 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.121 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.541 ' CD2' HG11 ' A' ' 32' ' ' VAL . 74.8 t60 -53.85 -70.36 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 52.9 mt -60.38 -29.38 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -65.81 -14.71 61.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' HIS . 13.9 mtp-105 -131.21 -63.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.541 HG11 ' CD2' ' A' ' 28' ' ' HIS . 6.3 p -42.02 -23.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.449 ' N ' HG12 ' A' ' 32' ' ' VAL . 27.4 m-70 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.876 0.369 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.3 t -46.99 134.09 10.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -83.62 -49.91 8.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -43.07 -45.39 5.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.4 p -135.66 167.36 21.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 t -83.73 60.65 5.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 19' ' ' CYS . 69.0 t80 -100.64 150.25 22.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.9 p -150.16 133.29 16.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.447 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 3.0 t -146.6 175.17 10.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 tp -94.47 -56.45 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.8 t -59.39 106.06 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -45.9 -47.37 16.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.46 -40.75 47.3 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -46.61 -26.43 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.4 tp -62.38 -39.08 92.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -69.57 -58.56 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.0 p -61.38 -28.64 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.441 ' CE1' ' CG ' ' A' ' 17' ' ' PHE . 49.3 t60 -61.38 -43.77 98.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.7 mt -82.64 -28.39 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -75.97 -15.41 60.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -108.55 -47.46 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.6 t -73.61 -72.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.5 m -120.79 -45.16 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 t -49.76 138.2 14.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.89 -103.07 0.16 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.7 t -89.77 110.93 21.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -97.07 150.21 21.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . 130.93 -79.86 0.35 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 7' ' ' GLY . 13.3 pt-20 34.52 42.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -142.72 139.86 31.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.953 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -85.96 155.23 20.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -134.47 157.91 45.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.062 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.9 t -53.5 140.4 28.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 14' ' ' TYR . 18.4 t0 -87.22 -62.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' ASP . 15.2 m-85 -36.4 -43.97 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.8 p -129.99 165.8 21.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.3 m -98.5 58.85 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -103.65 133.84 47.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.1 p -106.95 133.39 51.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.134 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.8 p -112.79 177.51 4.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.06 -43.07 4.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 91.6 p -103.92 160.86 14.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -67.22 -47.2 71.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.61 -42.28 84.11 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -49.32 -36.95 22.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.2 tp -64.4 -38.06 89.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -71.22 -61.07 1.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.1 p -52.4 -18.58 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -66.67 -71.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.6 mp -61.81 -13.07 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -59.81 -51.67 68.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 ptt85 -120.85 -53.23 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.7 t -37.5 -34.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -111.38 -64.68 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.3 tttp 43.91 34.34 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -68.21 109.53 3.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.7 mt -96.34 121.34 46.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.0 tptt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.827 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.7 m -107.89 176.9 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.892 0.377 . . . . 0.0 110.827 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 p -170.05 138.35 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.59 -112.58 0.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.529 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.3 p -95.92 42.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.382 . . . . 0.0 110.893 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 7' ' ' GLY . 23.3 t 55.25 42.3 30.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.796 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.03 42.48 0.36 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -99.53 108.52 20.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.896 0.379 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -103.25 165.72 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -130.48 128.91 42.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -120.64 151.73 39.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.8 t -68.87 122.75 19.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -77.01 -48.84 16.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -40.41 -62.22 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.1 p -120.7 173.31 7.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 m -90.2 59.88 4.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.583 ' CD2' ' ND1' ' A' ' 28' ' ' HIS . 32.8 t80 -103.88 141.03 36.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.8 p -152.36 150.6 29.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.184 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -142.2 173.23 11.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.487 ' C ' ' CD2' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -85.46 0.01 53.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -116.46 156.78 26.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm -83.85 -49.77 8.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.75 -14.55 7.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.524 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -55.61 -37.91 68.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.841 0.353 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.3 tp -63.07 -24.53 67.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -79.45 -60.44 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -61.61 -13.49 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.583 ' ND1' ' CD2' ' A' ' 17' ' ' PHE . 77.5 t60 -70.82 -70.78 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 mp -61.24 -26.84 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.414 ' O ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -66.56 -24.77 66.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -126.93 -64.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' A' ' 28' ' ' HIS . 90.6 t -41.74 -68.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -91.6 95.19 9.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -125.01 78.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -148.7 143.3 26.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.53 143.76 11.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.15 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.856 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m -84.13 166.07 17.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.383 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 t -103.25 158.84 16.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.825 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.96 -106.21 0.28 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 m -45.93 122.29 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.851 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -157.24 118.14 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.5 40.57 97.92 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.544 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -108.07 82.35 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.912 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -108.8 39.79 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -124.0 101.83 7.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -136.19 151.59 49.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -55.94 134.28 52.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -82.88 -47.07 12.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -52.96 -44.92 67.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.974 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.6 p -131.29 175.28 9.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 t -93.96 53.8 1.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 19' ' ' CYS . 7.4 t80 -91.99 125.29 36.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.5 p -114.18 138.76 50.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.109 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 2.9 t -148.07 169.43 19.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 tp -117.03 46.99 1.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.0 m -147.08 154.63 41.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -84.41 -42.14 15.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.32 -39.98 14.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -52.16 -18.26 1.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.473 ' O ' ' CD1' ' A' ' 29' ' ' ILE . 8.5 tp -85.97 -28.08 24.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -35.39 27.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.9 p -79.4 -24.7 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -58.03 -47.0 84.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.473 ' CD1' ' O ' ' A' ' 25' ' ' LEU . 4.5 mp -83.92 -34.79 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -60.2 -11.29 5.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.4 mmm-85 -123.86 -60.98 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.6 t -54.58 -74.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -87.3 74.52 9.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -116.06 139.13 50.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -109.0 80.24 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.596 ' CD1' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -71.76 147.3 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.596 ' N ' ' CD1' ' A' ' 36' ' ' ILE . 24.5 pttt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 t -90.92 135.29 33.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 110.883 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -58.67 138.05 57.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.34 -162.06 1.6 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.54 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.6 p -90.15 -23.63 21.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -74.04 -43.28 58.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.17 -136.26 13.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -164.83 134.46 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -123.61 171.49 9.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -134.92 127.1 29.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -115.89 118.05 31.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.8 t -47.38 143.36 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -85.86 -60.34 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.457 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 30.6 m-85 -41.38 -57.84 2.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 p -115.37 172.81 6.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.4 t -87.66 46.15 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -97.31 126.2 42.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.9 m -113.04 151.5 30.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.9 t -158.72 151.58 22.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.1 mt -85.91 -54.98 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.8 t -63.77 140.14 58.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -54.92 10.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.15 -39.81 42.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.486 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -52.87 -55.92 19.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.3 tp -55.99 -47.86 76.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -52.27 -58.96 5.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.7 t -58.05 -39.86 74.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -51.76 -54.9 23.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.421 ' CG2' ' HB2' ' A' ' 33' ' ' HIS . 17.5 mt -74.61 -35.16 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -64.29 -11.1 28.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -122.58 -61.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.2 t -55.59 -63.29 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.457 ' CE1' ' HB2' ' A' ' 14' ' ' TYR . 99.0 m-70 -81.6 77.56 8.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -121.97 84.77 2.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.19 166.32 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.5 tt -107.84 148.68 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.408 ' HD3' ' C ' ' A' ' 37' ' ' LYS . 4.0 tmtm? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.7 p -64.6 140.18 58.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.807 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -84.26 -46.26 12.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.87 -137.81 16.59 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 m -132.51 170.59 14.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -113.71 -59.26 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.01 -126.02 3.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -149.52 121.06 7.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.949 0.404 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 10' ' ' PHE . 27.9 ttmt -134.64 155.11 51.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.452 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 76.7 m-85 -107.83 103.47 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -104.13 123.55 47.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.3 t -55.31 123.4 13.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.95 -43.92 28.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -40.04 -47.15 2.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.2 p -129.26 168.83 15.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 t -88.13 40.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -86.76 137.56 32.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.7 p -122.19 136.47 54.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.2 p -145.28 153.41 41.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.444 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 3.8 pp -114.27 42.96 1.97 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -163.26 117.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -43.56 -56.4 3.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -46.78 -51.3 13.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.541 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -45.77 -45.07 14.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.9 tp -61.45 -44.81 96.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -58.02 -53.61 56.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 28' ' ' HIS . 14.3 p -65.65 -30.16 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.507 ' CE1' HG13 ' A' ' 32' ' ' VAL . 40.5 t60 -59.67 -61.02 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.0 mt -63.33 -30.94 51.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -49.25 -36.96 21.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -117.61 -54.17 2.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.507 HG13 ' CE1' ' A' ' 28' ' ' HIS . 91.3 t -42.62 -43.33 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.503 ' CE1' HG11 ' A' ' 32' ' ' VAL . 52.6 m-70 -134.6 74.89 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -56.7 155.27 7.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -67.14 142.14 57.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.1 tt -56.14 -42.23 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 mttp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.859 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -76.07 -55.01 5.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.849 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -89.33 42.54 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.9 108.64 0.42 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 6' ' ' SER . 88.5 p -141.44 176.86 8.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.859 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 5' ' ' SER . 46.1 t 36.65 40.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.0 166.75 0.4 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -134.0 86.05 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 110.936 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.34 141.36 28.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -109.13 104.54 13.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -115.25 150.38 36.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.8 t -57.93 135.54 56.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -77.23 -56.69 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.538 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 29.7 m-85 -40.7 -59.35 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.2 p -110.11 157.03 19.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.0 t -81.83 44.89 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -93.05 136.96 32.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.5 m -105.89 149.03 26.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.418 ' C ' HD21 ' A' ' 20' ' ' LEU . 2.1 t -146.62 166.67 25.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.418 HD21 ' C ' ' A' ' 19' ' ' CYS . 4.5 mm? -114.46 -45.47 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.1 p -95.86 156.64 16.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -74.7 -47.22 32.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -42.46 -59.21 3.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -49.24 -47.76 46.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.836 0.35 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.3 tp -56.54 -28.22 59.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -74.95 -59.48 2.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.401 HG11 ' N ' ' A' ' 28' ' ' HIS . 9.9 p -61.75 -18.52 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.547 ' CE1' ' CG1' ' A' ' 32' ' ' VAL . 34.1 t60 -65.12 -64.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.88 -41.8 87.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -40.02 -30.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.7 mtt-85 -123.47 -62.36 1.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.547 ' CG1' ' CE1' ' A' ' 28' ' ' HIS . 96.1 t -38.4 -47.24 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.538 ' CE1' ' CB ' ' A' ' 14' ' ' TYR . 94.3 m-70 -115.7 89.73 3.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -108.49 40.41 1.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' ILE . 71.5 mttt -69.04 -41.6 77.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 35' ' ' LYS . 2.5 pp -34.47 135.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.855 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.2 m -122.05 89.02 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -158.58 167.43 29.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.851 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.45 -140.57 6.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.1 p -98.28 132.25 43.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.901 0.381 . . . . 0.0 110.875 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 m -109.63 101.03 9.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.98 -179.18 3.2 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.6 135.78 52.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -127.86 84.97 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -91.77 127.81 37.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -108.76 141.48 40.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.078 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -56.14 125.9 23.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -71.44 -69.51 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.522 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 46.3 m-85 -34.5 -52.01 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 p -123.6 139.23 54.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.1 m -72.54 66.63 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.424 ' CE2' ' O ' ' A' ' 18' ' ' THR . 65.3 t80 -102.13 144.63 30.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.424 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 73.4 p -106.47 144.08 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.6 p -134.31 155.5 50.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mp -105.92 -57.13 2.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 24' ' ' HIS . 17.6 m -88.93 110.08 20.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 23' ' ' GLY . 1.2 pptp? -36.57 -34.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.466 ' N ' ' HD2' ' A' ' 22' ' ' LYS . . . -67.28 -44.4 85.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.518 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 21' ' ' SER . 18.7 t60 -50.62 -53.03 34.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.3 tp -36.9 -53.32 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -46.18 -46.7 17.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.0 t -59.35 -46.24 92.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.514 ' CE1' HG12 ' A' ' 32' ' ' VAL . 81.5 t60 -44.59 -64.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 31' ' ' ARG . 86.8 mt -63.21 -44.12 99.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.1 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -42.51 -23.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 29' ' ' ILE . 44.2 mtp85 -130.02 -65.87 0.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.514 HG12 ' CE1' ' A' ' 28' ' ' HIS . 57.6 t -40.44 -52.04 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.522 ' CE1' ' HB2' ' A' ' 14' ' ' TYR . 82.8 m-70 -112.38 87.55 2.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.1 tptt -104.25 137.63 41.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -163.73 154.32 15.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.9 mp -70.66 137.18 24.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 179.83 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 m -122.89 107.78 12.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 110.844 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.4 m -152.7 163.85 38.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.44 -178.27 27.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 t 59.85 42.51 16.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.911 0.386 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 m -100.87 -55.9 2.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.93 171.05 12.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -82.24 112.65 19.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.934 0.397 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -74.45 177.06 6.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -135.56 121.03 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -120.38 139.77 52.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.1 t -48.26 135.64 13.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -82.89 -54.77 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.585 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 79.6 m-85 -44.96 -46.99 11.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.5 p -125.13 173.04 9.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -88.82 43.61 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 6.7 t80 -93.16 135.5 34.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 33.9 m -142.7 153.63 43.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 m -149.99 162.03 41.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.406 ' C ' HD11 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -64.88 -47.3 78.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.1 p -88.04 139.73 30.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -82.5 -49.71 9.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -43.08 -41.96 4.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -57.95 -49.65 76.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.4 tp -41.84 -31.29 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -58.26 -55.34 36.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.1 t -54.56 -38.48 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.124 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -54.24 -70.06 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.34 -40.09 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -38.62 -41.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -115.54 -52.67 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.3 t -46.61 -56.49 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.585 ' CE1' ' CB ' ' A' ' 14' ' ' TYR . 96.7 m-70 -110.72 83.69 1.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -125.67 -56.18 1.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -91.98 139.34 30.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.6 mt -96.25 131.79 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 1' ' ' GLY . 41.8 t -36.85 -44.46 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.38 . . . . 0.0 110.86 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -129.92 125.56 35.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.42 127.37 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.9 m -134.03 93.31 3.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.872 0.368 . . . . 0.0 110.85 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 m -86.02 -42.78 13.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.34 -167.56 39.97 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 9' ' ' LYS . 24.2 pt-20 -82.12 43.09 0.77 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.934 0.397 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 8' ' ' GLU . 3.0 mmpt? 37.37 44.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -85.97 99.95 11.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -114.68 159.95 19.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.0 t -65.16 133.8 52.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 14' ' ' TYR . 1.1 m-20 -75.79 -56.28 4.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 13' ' ' ASP . 69.9 m-85 -35.13 -60.31 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.96 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 p -117.79 160.26 21.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -85.58 53.07 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -103.78 135.03 46.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.6 p -104.8 151.81 23.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.5 t -138.93 152.5 47.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -84.4 -56.71 3.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.7 m -90.97 138.5 31.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -64.45 -53.48 47.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -42.42 -39.75 3.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -60.02 -50.58 73.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 110.794 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.1 tp -45.55 -43.87 12.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -52.07 -42.14 62.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.5 t -78.68 -41.86 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -43.04 -45.55 5.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.6 mt -80.9 -37.95 16.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -58.89 -11.28 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -120.28 -58.84 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.521 HG13 ' CE1' ' A' ' 33' ' ' HIS . 49.1 t -58.84 -64.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.521 ' CE1' HG13 ' A' ' 32' ' ' VAL . 6.2 m-70 -101.95 85.85 2.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -79.3 48.18 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt 53.42 40.61 31.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.6 tp -63.32 140.54 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.108 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.856 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 p -94.81 169.71 9.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.839 0.352 . . . . 0.0 110.883 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -91.21 142.39 27.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.803 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.41 51.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.451 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.0 p -75.3 -51.96 11.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 p -110.8 78.2 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.809 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.72 -116.2 2.36 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.442 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 56.91 54.59 6.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.08 130.95 54.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -92.5 125.78 37.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -121.55 140.97 51.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.078 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.6 t -53.09 124.54 14.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -81.93 -44.36 16.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.428 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 96.2 m-85 -47.61 -44.62 26.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.5 p -129.86 177.96 6.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.8 t -94.28 43.62 1.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' A' ' 19' ' ' CYS . 78.2 t80 -86.3 152.77 22.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.4 p -139.58 143.95 37.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.411 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 1.8 t -158.06 158.06 34.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.8 mp -87.54 -62.7 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.458 ' HB3' ' CG ' ' A' ' 24' ' ' HIS . 1.5 t -47.4 150.97 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -85.55 -55.78 3.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.71 -33.79 55.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.508 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.458 ' CG ' ' HB3' ' A' ' 21' ' ' SER . 10.5 m170 -48.93 -45.8 42.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 110.828 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.0 tp -44.67 -23.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 tptp -83.08 -58.01 3.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.417 ' HA ' ' CD ' ' A' ' 30' ' ' GLU . 4.2 p -56.47 -13.17 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.456 ' CE1' HG21 ' A' ' 32' ' ' VAL . 17.9 t60 -80.02 -59.22 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.432 ' CG2' ' HB2' ' A' ' 33' ' ' HIS . 80.8 mt -66.21 -38.46 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.417 ' CD ' ' HA ' ' A' ' 27' ' ' VAL . 13.9 pt-20 -50.92 -18.98 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -123.71 -61.98 1.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.489 HG13 ' CD2' ' A' ' 33' ' ' HIS . 72.1 t -46.88 -55.13 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.489 ' CD2' HG13 ' A' ' 32' ' ' VAL . 73.3 m-70 -102.83 84.65 2.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -54.59 164.4 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.53 -44.36 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.442 HG13 ' N ' ' A' ' 37' ' ' LYS . 36.5 pt -57.16 -37.96 58.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.442 ' N ' HG13 ' A' ' 36' ' ' ILE . 44.9 mttt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -47.72 -61.1 2.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 t -119.0 144.15 46.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.32 -172.78 0.1 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.5 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.0 p -91.7 43.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.864 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p -63.79 -45.08 91.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.47 -126.53 2.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -136.13 156.78 48.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.41 143.12 31.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -139.82 111.38 7.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -121.04 151.03 40.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.7 t -56.19 151.8 11.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.49 -62.36 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -42.02 -57.01 2.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.9 p -115.23 169.36 9.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 m -94.04 52.01 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.575 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 24.9 t80 -99.78 147.79 25.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.1 t -156.45 169.9 23.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.2 m -157.38 174.85 14.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.54 43.01 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.0 m -163.48 154.77 16.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -80.5 -51.71 8.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.58 -40.13 77.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -49.39 -19.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 tp -92.92 -63.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -41.43 -39.81 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.3 t -80.02 -35.76 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.575 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 36.1 t60 -49.32 -57.59 6.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.3 mt -66.92 -41.17 87.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -46.1 -21.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -126.46 -64.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.567 HG21 ' CE1' ' A' ' 28' ' ' HIS . 76.1 t -39.7 -59.58 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -112.08 103.75 11.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -103.79 176.61 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -134.32 127.01 30.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.9 pt -89.24 40.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.839 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 p -135.37 118.95 16.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.921 0.391 . . . . 0.0 110.795 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p -114.54 80.75 1.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.82 145.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.463 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -101.52 81.34 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.0 m -162.06 136.31 6.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.4 -146.82 17.24 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.548 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -101.85 86.23 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.387 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -144.56 172.72 12.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -131.41 131.85 43.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -132.07 144.83 51.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.076 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.2 t -47.98 129.05 14.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -76.49 -45.39 31.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -45.33 -59.21 2.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 p -118.1 177.58 4.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.6 p -85.51 42.72 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.401 ' CE1' ' O ' ' A' ' 18' ' ' THR . 18.1 t80 -95.32 146.71 24.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.401 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 79.2 p -126.25 149.22 49.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.0 t -135.42 158.02 45.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -96.09 -30.4 13.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.6 t -112.49 154.16 26.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -63.06 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.13 -47.13 33.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -52.17 -46.53 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.3 tp -49.59 -62.69 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -39.42 -50.01 2.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 63.1 t -49.45 -50.75 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.553 ' CE1' HG21 ' A' ' 32' ' ' VAL . 13.4 t60 -51.15 -27.9 9.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.9 mm -80.97 -41.4 19.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -68.48 -11.11 59.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 31' ' ' ARG . 11.0 mtm105 -109.9 -36.98 5.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.553 HG21 ' CE1' ' A' ' 28' ' ' HIS . 69.2 t -92.94 -66.32 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -98.16 88.16 4.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -91.03 102.58 15.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -76.2 -55.15 5.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.894 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.1 tt -57.49 126.04 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.854 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -47.26 169.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.857 0.36 . . . . 0.0 110.886 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -129.02 41.75 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.46 109.62 3.38 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 t -63.99 104.15 0.68 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.897 0.38 . . . . 0.0 110.864 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -79.34 135.98 36.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.43 -142.91 4.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -112.75 83.94 1.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.863 0.363 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.404 ' C ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -174.39 171.9 3.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -133.79 139.93 46.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.17 142.59 27.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.2 t -48.01 120.56 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -78.92 -45.47 20.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -43.79 -54.94 4.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.7 p -120.93 177.3 5.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.7 m -89.49 45.35 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.5 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 65.6 t80 -89.04 149.95 23.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.7 m -126.5 154.8 43.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 30.3 p -150.08 176.32 10.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mp -112.95 -50.15 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 t -72.99 172.89 10.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -85.16 -46.32 11.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.03 -16.71 76.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -55.23 -21.02 12.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.8 tp -83.15 -53.16 5.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 27' ' ' VAL . 45.1 pttt -56.24 -35.12 67.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.444 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 10.1 p -80.88 -31.29 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.681 ' CE1' ' CG1' ' A' ' 32' ' ' VAL . 64.1 t60 -51.3 -66.66 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 mp -57.3 -26.99 27.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -51.66 -41.28 61.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' VAL . 38.9 mtp180 -125.21 -59.15 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.681 ' CG1' ' CE1' ' A' ' 28' ' ' HIS . 62.3 t -34.03 -39.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -98.21 -74.23 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -150.96 140.83 21.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -105.14 88.37 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.465 HD12 ' N ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -38.92 133.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.843 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 t -114.46 86.12 2.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.827 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 p -112.74 131.33 55.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.59 -123.15 6.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -145.53 107.83 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 0.0 110.848 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.6 p -87.75 41.55 1.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.34 -175.47 46.13 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -86.2 89.01 7.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.919 0.39 . . . . 0.0 110.902 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.97 87.48 2.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.963 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -96.98 138.35 34.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -137.78 155.05 49.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.6 t -61.55 121.46 12.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.53 -52.4 8.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -40.94 -47.74 3.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 p -125.27 147.89 48.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -83.43 51.9 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -96.01 142.66 27.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.6 p -131.12 152.27 50.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.86 176.08 12.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.9 mt -96.55 -45.85 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.0 t -68.29 115.84 8.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -16.86 4.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 25' ' ' LEU . . . -85.12 -46.52 5.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 23' ' ' GLY . 2.8 t-80 -37.67 -28.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 23' ' ' GLY . 35.2 tp -76.44 -55.8 5.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -55.53 -34.3 64.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -84.92 -36.01 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.5 ' CG ' HG22 ' A' ' 32' ' ' VAL . 23.4 t60 -52.65 -61.94 1.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.8 mt -60.42 -42.16 90.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -38.46 -39.74 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 31' ' ' ARG . 22.8 mtm105 -112.7 -55.48 2.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.5 HG22 ' CG ' ' A' ' 28' ' ' HIS . 88.3 t -41.19 -53.99 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.417 ' NE2' HG11 ' A' ' 32' ' ' VAL . 81.6 m-70 -115.71 78.94 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -63.67 139.38 58.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -96.76 -52.57 3.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.882 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.46 ' N ' ' HD2' ' A' ' 35' ' ' LYS . 7.0 tp -74.1 136.31 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.887 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 3' ' ' SER . 4.7 t -134.9 84.08 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.351 . . . . 0.0 110.845 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 2' ' ' SER . 5.1 t 35.36 42.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.11 -110.07 2.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.7 p -132.55 167.95 19.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.3 p -92.42 41.12 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.08 165.13 37.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -112.14 40.88 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.915 0.388 . . . . 0.0 110.909 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -84.3 119.53 25.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -94.99 108.48 20.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -106.78 144.24 33.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.0 t -58.57 146.64 35.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' TYR . 5.3 m-20 -89.01 -52.58 5.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.621 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 90.1 m-85 -36.78 -49.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -130.3 176.61 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.3 m -90.63 48.95 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.441 ' CD2' ' CG ' ' A' ' 28' ' ' HIS . 47.4 t80 -103.33 144.0 31.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.0 t -137.75 163.87 30.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.4 p -156.88 169.01 25.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.427 ' N ' HD11 ' A' ' 20' ' ' LEU . 10.2 mp -114.89 39.95 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.9 m -162.92 118.63 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 23' ' ' GLY . 13.2 ptpt -45.41 -37.79 5.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.404 ' N ' ' HG3' ' A' ' 22' ' ' LYS . . . -69.77 -44.09 64.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -51.02 -45.22 61.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.811 0.339 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.8 tp -61.66 -46.24 90.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -53.37 -47.04 69.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.838 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.2 t -73.38 -35.9 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.441 ' CG ' ' CD2' ' A' ' 17' ' ' PHE . 6.7 t60 -50.67 -32.48 19.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.423 ' CG2' ' HB2' ' A' ' 33' ' ' HIS . 23.6 mt -89.55 -52.2 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -49.92 -21.23 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.5 tpt85 -103.15 -35.97 8.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.0 t -91.36 -69.7 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.621 ' CE1' ' CB ' ' A' ' 14' ' ' TYR . 10.8 m-70 -91.15 73.9 6.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -115.09 -43.68 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' LYS . 29.7 ttpt -37.7 -46.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.5 tt -89.84 132.16 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.2 tttp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.922 179.838 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 m -56.64 -43.86 80.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.921 0.391 . . . . 0.0 110.849 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 m -44.05 127.75 5.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.09 48.97 0.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.1 m -138.09 176.87 8.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 110.885 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.8 m -48.71 166.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.23 91.45 0.63 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -95.83 48.87 1.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.926 0.393 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.7 mmtt -140.12 121.88 15.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -87.43 120.58 28.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -118.54 154.66 32.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.5 t -55.53 139.65 43.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -82.54 -53.02 6.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -45.44 -46.38 13.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.0 p -132.0 167.26 19.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 t -93.2 61.0 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.812 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -99.26 147.59 25.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.2 p -114.15 139.56 49.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.7 p -130.34 162.18 29.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 tp -98.97 -58.66 1.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.4 m -84.32 174.36 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -76.05 -59.88 2.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 26' ' ' LYS . . . -46.37 -49.45 15.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.47 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -39.38 -39.14 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.8 tp -66.49 -40.65 89.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 23' ' ' GLY . 3.7 tppp? -69.68 -53.0 20.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.7 p -65.25 -20.27 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -63.68 -47.87 79.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.443 ' CG2' ' HB2' ' A' ' 33' ' ' HIS . 53.3 mt -76.7 -31.89 20.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -62.22 -24.47 67.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.82 -48.18 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.549 HG12 ' CE1' ' A' ' 33' ' ' HIS . 76.9 t -68.52 -68.02 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.549 ' CE1' HG12 ' A' ' 32' ' ' VAL . 29.3 m-70 -98.69 69.46 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? -80.92 141.88 34.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -52.13 109.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 37' ' ' LYS . 2.6 pp -89.77 -35.4 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 36' ' ' ILE . 61.9 mmtt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -71.11 -45.21 64.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.903 0.383 . . . . 0.0 110.881 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 m 57.61 42.07 24.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.96 -53.49 4.67 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -73.04 86.94 1.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 t -76.8 -49.49 15.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.83 149.55 15.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.524 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -45.46 104.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -146.3 158.03 43.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -133.15 118.98 19.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.03 141.18 38.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.8 t -50.97 144.13 9.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -89.56 -59.28 2.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.403 ' HB2' ' NE2' ' A' ' 33' ' ' HIS . 82.9 m-85 -40.12 -43.37 1.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 p -133.93 158.81 42.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.3 t -84.95 73.83 10.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 19' ' ' CYS . 44.7 t80 -103.72 120.34 40.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.7 p -110.13 134.9 51.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 1.8 t -155.58 177.35 11.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mp -122.65 70.27 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.8 t -174.89 140.82 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -77.6 -55.91 4.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.22 -39.78 82.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 25' ' ' LEU . 5.3 m170 -46.88 -53.94 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 24' ' ' HIS . 37.0 tp -37.64 -57.32 0.98 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -54.44 -58.98 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.8 t -46.53 -52.33 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.56 ' CE1' HG21 ' A' ' 32' ' ' VAL . 41.6 t60 -45.42 -67.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.1 mt -54.37 -28.01 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -65.44 -32.78 74.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.41 28.96 6.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.567 HG13 ' CE1' ' A' ' 33' ' ' HIS . 19.3 t -134.77 -41.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.155 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.567 ' CE1' HG13 ' A' ' 32' ' ' VAL . 59.7 m-70 -123.94 -59.13 1.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -79.96 43.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -102.95 -62.43 1.28 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.934 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.465 HG13 ' N ' ' A' ' 37' ' ' LYS . 4.1 tp -60.44 146.56 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.465 ' N ' HG13 ' A' ' 36' ' ' ILE . 21.6 tptp . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -60.54 -57.01 14.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.903 0.382 . . . . 0.0 110.867 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.1 p -109.52 171.88 7.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.5 -158.97 9.95 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.0 p -102.43 -44.87 5.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.87 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.8 p -57.36 115.36 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.88 -144.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 46.79 51.17 12.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.927 0.394 . . . . 0.0 110.904 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -61.29 157.71 15.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.417 ' CZ ' ' HE3' ' A' ' 22' ' ' LYS . 29.2 m-85 -87.09 104.82 16.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -135.61 155.35 50.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.3 t -70.03 141.14 52.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.71 -64.21 1.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.525 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 45.3 m-85 -45.78 -64.05 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 p -105.61 173.0 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 90.9 p -96.14 66.02 2.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.45 ' CE2' ' HB3' ' A' ' 19' ' ' CYS . 12.5 t80 -97.83 134.94 40.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.3 p -111.66 144.86 40.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HB3' ' CE2' ' A' ' 17' ' ' PHE . 28.1 p -145.82 177.16 9.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 tp -102.67 -39.3 7.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.6 p -101.65 156.44 17.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.417 ' HE3' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -87.98 -17.56 30.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.49 -39.56 49.84 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -59.64 -41.3 90.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.89 0.376 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.6 tp -49.13 -48.23 44.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.43 -54.08 36.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.1 t -55.02 -43.82 71.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -49.97 -70.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.82 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.6 mt -57.53 -32.68 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -49.14 -40.05 31.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 31' ' ' ARG . 18.0 mtm105 -119.02 -60.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.3 t -39.5 -53.38 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.525 ' CE1' ' HB2' ' A' ' 14' ' ' TYR . 95.4 m-70 -106.77 81.22 1.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -95.0 133.63 38.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -63.05 122.91 17.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.453 HG21 ' N ' ' A' ' 37' ' ' LYS . 35.1 mm -109.1 146.02 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.453 ' N ' HG21 ' A' ' 36' ' ' ILE . 23.9 tptm . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.1 m -79.42 149.78 31.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.896 0.379 . . . . 0.0 110.862 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.7 m -40.52 -50.25 2.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.42 112.26 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -96.41 42.61 1.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.873 0.368 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 m -118.96 100.88 7.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.12 92.07 0.51 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.417 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -129.57 43.07 3.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.32 144.87 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -102.71 105.11 15.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -112.77 154.83 25.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.0 t -47.1 135.39 9.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -75.95 -54.91 6.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -43.35 -61.77 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.8 p -111.08 -179.17 3.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.0 p -105.99 43.94 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -103.94 145.83 29.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.0 t -153.09 168.28 26.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.142 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -158.9 174.69 14.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -93.5 42.69 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -155.98 109.84 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -59.21 -51.81 68.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.2 -47.15 50.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.435 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -49.84 -44.69 49.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.6 tp -51.41 -41.08 60.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -53.27 -50.1 65.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.8 t -68.59 -33.82 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.121 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.541 ' CD2' HG11 ' A' ' 32' ' ' VAL . 74.8 t60 -53.85 -70.36 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 52.9 mt -60.38 -29.38 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -65.81 -14.71 61.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' HIS . 13.9 mtp-105 -131.21 -63.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.541 HG11 ' CD2' ' A' ' 28' ' ' HIS . 6.3 p -42.02 -23.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.449 ' N ' HG12 ' A' ' 32' ' ' VAL . 27.4 m-70 -132.47 80.59 1.91 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -127.17 125.78 41.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -96.79 37.7 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.4 mt -116.45 98.33 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.9 mttp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.867 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -91.35 84.02 5.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.376 . . . . 0.0 110.837 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -132.46 173.76 10.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.69 97.57 0.17 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.5 p -123.57 -36.8 2.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 110.869 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 m -88.2 52.73 2.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.15 -44.13 98.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -77.11 92.36 3.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 ttpp -163.69 129.91 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -123.72 116.91 23.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.0 133.11 31.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.093 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.3 t -46.99 134.09 10.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -83.62 -49.91 8.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -43.07 -45.39 5.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.4 p -135.66 167.36 21.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 t -83.73 60.65 5.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 19' ' ' CYS . 69.0 t80 -100.64 150.25 22.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.9 p -150.16 133.29 16.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.447 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 3.0 t -146.6 175.17 10.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 tp -94.47 -56.45 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.8 t -59.39 106.06 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -45.9 -47.37 16.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.46 -40.75 47.3 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -46.61 -26.43 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.4 tp -62.38 -39.08 92.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -69.57 -58.56 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.0 p -61.38 -28.64 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.441 ' CE1' ' CG ' ' A' ' 17' ' ' PHE . 49.3 t60 -61.38 -43.77 98.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.7 mt -82.64 -28.39 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -75.97 -15.41 60.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -108.55 -47.46 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.6 t -73.61 -72.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -91.7 75.98 5.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -82.1 150.25 27.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -74.26 173.43 10.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 mp -115.73 135.69 55.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.147 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.9 tptt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.821 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.891 0.376 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.9 t -53.5 140.4 28.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 14' ' ' TYR . 18.4 t0 -87.22 -62.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' ASP . 15.2 m-85 -36.4 -43.97 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.8 p -129.99 165.8 21.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.3 m -98.5 58.85 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -103.65 133.84 47.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.1 p -106.95 133.39 51.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.134 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.8 p -112.79 177.51 4.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.686 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -109.06 -43.07 4.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 91.6 p -103.92 160.86 14.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -67.22 -47.2 71.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.61 -42.28 84.11 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -49.32 -36.95 22.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.566 ' O ' HD12 ' A' ' 29' ' ' ILE . 31.2 tp -64.4 -38.06 89.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -71.22 -61.07 1.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.1 p -52.4 -18.58 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.571 ' CE1' HG11 ' A' ' 32' ' ' VAL . 77.1 t60 -66.67 -71.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.728 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.6 mp -61.81 -13.07 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -59.81 -51.67 68.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 ptt85 -120.85 -53.23 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.571 HG11 ' CE1' ' A' ' 28' ' ' HIS . 22.7 t -37.5 -34.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.939 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.794 0.33 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.8 t -68.87 122.75 19.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -77.01 -48.84 16.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -40.41 -62.22 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.1 p -120.7 173.31 7.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 m -90.2 59.88 4.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.583 ' CD2' ' ND1' ' A' ' 28' ' ' HIS . 32.8 t80 -103.88 141.03 36.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.8 p -152.36 150.6 29.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.184 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -142.2 173.23 11.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.764 HD22 ' O ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -85.46 0.01 53.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -116.46 156.78 26.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm -83.85 -49.77 8.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.75 -14.55 7.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.524 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -55.61 -37.91 68.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.841 0.353 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.3 tp -63.07 -24.53 67.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -79.45 -60.44 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -61.61 -13.49 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.583 ' ND1' ' CD2' ' A' ' 17' ' ' PHE . 77.5 t60 -70.82 -70.78 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.492 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.4 mp -61.24 -26.84 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.414 ' O ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -66.56 -24.77 66.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -126.93 -64.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.579 HG21 ' ND1' ' A' ' 28' ' ' HIS . 90.6 t -41.74 -68.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.855 0.36 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -55.94 134.28 52.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -82.88 -47.07 12.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -52.96 -44.92 67.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.974 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.6 p -131.29 175.28 9.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 t -93.96 53.8 1.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 19' ' ' CYS . 7.4 t80 -91.99 125.29 36.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.5 p -114.18 138.76 50.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.109 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 2.9 t -148.07 169.43 19.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 tp -117.03 46.99 1.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.0 m -147.08 154.63 41.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -84.41 -42.14 15.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.32 -39.98 14.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -52.16 -18.26 1.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.61 ' O ' HD12 ' A' ' 25' ' ' LEU . 8.5 tp -85.97 -28.08 24.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -35.39 27.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.9 p -79.4 -24.7 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -58.03 -47.0 84.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.637 HG23 ' HB2' ' A' ' 33' ' ' HIS . 4.5 mp -83.92 -34.79 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -60.2 -11.29 5.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.4 mmm-85 -123.86 -60.98 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.6 t -54.58 -74.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.637 ' HB2' HG23 ' A' ' 29' ' ' ILE . 24.0 m-70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.832 0.348 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.8 t -47.38 143.36 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -85.86 -60.34 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.479 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 30.6 m-85 -41.38 -57.84 2.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 p -115.37 172.81 6.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.4 t -87.66 46.15 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -97.31 126.2 42.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.9 m -113.04 151.5 30.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.9 t -158.72 151.58 22.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.1 mt -85.91 -54.98 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.8 t -63.77 140.14 58.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -54.92 10.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.15 -39.81 42.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.486 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -52.87 -55.92 19.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.3 tp -55.99 -47.86 76.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -52.27 -58.96 5.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.7 t -58.05 -39.86 74.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -51.76 -54.9 23.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.615 HG23 ' HB2' ' A' ' 33' ' ' HIS . 17.5 mt -74.61 -35.16 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -64.29 -11.1 28.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -122.58 -61.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.2 t -55.59 -63.29 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.615 ' HB2' HG23 ' A' ' 29' ' ' ILE . 99.0 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.805 0.336 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.3 t -55.31 123.4 13.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.95 -43.92 28.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -40.04 -47.15 2.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.2 p -129.26 168.83 15.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 t -88.13 40.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -86.76 137.56 32.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.7 p -122.19 136.47 54.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.2 p -145.28 153.41 41.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.656 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.8 pp -114.27 42.96 1.97 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -163.26 117.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -43.56 -56.4 3.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -46.78 -51.3 13.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.541 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -45.77 -45.07 14.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.9 tp -61.45 -44.81 96.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -58.02 -53.61 56.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.3 p -65.65 -30.16 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.745 ' ND1' HG21 ' A' ' 32' ' ' VAL . 40.5 t60 -59.67 -61.02 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.477 HG23 ' HB2' ' A' ' 33' ' ' HIS . 60.0 mt -63.33 -30.94 51.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -49.25 -36.96 21.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -117.61 -54.17 2.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.745 HG21 ' ND1' ' A' ' 28' ' ' HIS . 91.3 t -42.62 -43.33 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.677 ' CE1' HG12 ' A' ' 32' ' ' VAL . 52.6 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.858 0.361 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.8 t -57.93 135.54 56.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -77.23 -56.69 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.538 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 29.7 m-85 -40.7 -59.35 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.2 p -110.11 157.03 19.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.0 t -81.83 44.89 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -93.05 136.96 32.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.5 m -105.89 149.03 26.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.1 t -146.62 166.67 25.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -114.46 -45.47 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.1 p -95.86 156.64 16.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -74.7 -47.22 32.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -42.46 -59.21 3.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -49.24 -47.76 46.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.836 0.35 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.3 tp -56.54 -28.22 59.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -74.95 -59.48 2.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.75 -18.52 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.927 ' CE1' HG11 ' A' ' 32' ' ' VAL . 34.1 t60 -65.12 -64.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.729 HG23 ' HB2' ' A' ' 33' ' ' HIS . 97.1 mt -59.88 -41.8 87.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -40.02 -30.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.7 mtt-85 -123.47 -62.36 1.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.927 HG11 ' CE1' ' A' ' 28' ' ' HIS . 96.1 t -38.4 -47.24 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.729 ' HB2' HG23 ' A' ' 29' ' ' ILE . 94.3 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.846 0.355 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -56.14 125.9 23.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -71.44 -69.51 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.542 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 46.3 m-85 -34.5 -52.01 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 p -123.6 139.23 54.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.1 m -72.54 66.63 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.424 ' CE2' ' O ' ' A' ' 18' ' ' THR . 65.3 t80 -102.13 144.63 30.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.424 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 73.4 p -106.47 144.08 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.6 p -134.31 155.5 50.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mp -105.92 -57.13 2.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 24' ' ' HIS . 17.6 m -88.93 110.08 20.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 23' ' ' GLY . 1.2 pptp? -36.57 -34.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.458 ' N ' ' HD2' ' A' ' 22' ' ' LYS . . . -67.28 -44.4 85.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.518 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 21' ' ' SER . 18.7 t60 -50.62 -53.03 34.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.3 tp -36.9 -53.32 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -46.18 -46.7 17.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.0 t -59.35 -46.24 92.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.52 ' CE1' HG11 ' A' ' 32' ' ' VAL . 81.5 t60 -44.59 -64.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.457 HG23 ' HB2' ' A' ' 33' ' ' HIS . 86.8 mt -63.21 -44.12 99.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.1 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -42.51 -23.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 29' ' ' ILE . 44.2 mtp85 -130.02 -65.87 0.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.52 HG11 ' CE1' ' A' ' 28' ' ' HIS . 57.6 t -40.44 -52.04 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.542 ' CE1' ' HB2' ' A' ' 14' ' ' TYR . 82.8 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.843 0.354 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.1 t -48.26 135.64 13.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -82.89 -54.77 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.585 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 79.6 m-85 -44.96 -46.99 11.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.5 p -125.13 173.04 9.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -88.82 43.61 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 6.7 t80 -93.16 135.5 34.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.401 HG22 ' N ' ' A' ' 19' ' ' CYS . 33.9 m -142.7 153.63 43.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.401 ' N ' HG22 ' A' ' 18' ' ' THR . 2.0 m -149.99 162.03 41.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.541 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -64.88 -47.3 78.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.439 ' HG ' ' CG ' ' A' ' 24' ' ' HIS . 69.1 p -88.04 139.73 30.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -82.5 -49.71 9.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -43.08 -41.96 4.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.439 ' CG ' ' HG ' ' A' ' 21' ' ' SER . 4.9 m80 -57.95 -49.65 76.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.4 tp -41.84 -31.29 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -58.26 -55.34 36.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.1 t -54.56 -38.48 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.124 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.486 ' O ' HG23 ' A' ' 32' ' ' VAL . 73.7 t60 -54.24 -70.06 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.616 HG23 ' HB2' ' A' ' 33' ' ' HIS . 68.3 mt -59.34 -40.09 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -38.62 -41.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -115.54 -52.67 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 28' ' ' HIS . 84.3 t -46.61 -56.49 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.616 ' HB2' HG23 ' A' ' 29' ' ' ILE . 96.7 m-70 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.863 0.363 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.0 t -65.16 133.8 52.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 14' ' ' TYR . 1.1 m-20 -75.79 -56.28 4.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 13' ' ' ASP . 69.9 m-85 -35.13 -60.31 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.96 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 p -117.79 160.26 21.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -85.58 53.07 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -103.78 135.03 46.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.6 p -104.8 151.81 23.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.5 t -138.93 152.5 47.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 20' ' ' LEU . 2.9 mm? -84.4 -56.71 3.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.7 m -90.97 138.5 31.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -64.45 -53.48 47.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -42.42 -39.75 3.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -60.02 -50.58 73.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 110.794 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.1 tp -45.55 -43.87 12.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -52.07 -42.14 62.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.5 t -78.68 -41.86 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.524 ' O ' HG23 ' A' ' 32' ' ' VAL . 23.8 t60 -43.04 -45.55 5.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.51 HG23 ' HB2' ' A' ' 33' ' ' HIS . 28.6 mt -80.9 -37.95 16.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -58.89 -11.28 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -120.28 -58.84 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 28' ' ' HIS . 49.1 t -58.84 -64.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.51 ' HB2' HG23 ' A' ' 29' ' ' ILE . 6.2 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.828 0.347 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.6 t -53.09 124.54 14.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -81.93 -44.36 16.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -47.61 -44.62 26.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.5 p -129.86 177.96 6.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.8 t -94.28 43.62 1.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.424 ' CE2' ' HB2' ' A' ' 19' ' ' CYS . 78.2 t80 -86.3 152.77 22.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.4 p -139.58 143.95 37.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.424 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 1.8 t -158.06 158.06 34.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.8 mp -87.54 -62.7 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.472 ' HB3' ' CG ' ' A' ' 24' ' ' HIS . 1.5 t -47.4 150.97 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -85.55 -55.78 3.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.71 -33.79 55.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.508 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.472 ' CG ' ' HB3' ' A' ' 21' ' ' SER . 10.5 m170 -48.93 -45.8 42.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 110.828 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.0 tp -44.67 -23.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 tptp -83.08 -58.01 3.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.418 ' HA ' ' CD ' ' A' ' 30' ' ' GLU . 4.2 p -56.47 -13.17 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.768 ' CE1' HG21 ' A' ' 32' ' ' VAL . 17.9 t60 -80.02 -59.22 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.891 HG23 ' HB2' ' A' ' 33' ' ' HIS . 80.8 mt -66.21 -38.46 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' CD ' ' HA ' ' A' ' 27' ' ' VAL . 13.9 pt-20 -50.92 -18.98 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -123.71 -61.98 1.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.768 HG21 ' CE1' ' A' ' 28' ' ' HIS . 72.1 t -46.88 -55.13 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.891 ' HB2' HG23 ' A' ' 29' ' ' ILE . 65.9 m80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.857 0.36 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.7 t -56.19 151.8 11.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.49 -62.36 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -42.02 -57.01 2.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.9 p -115.23 169.36 9.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 m -94.04 52.01 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.575 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 24.9 t80 -99.78 147.79 25.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.1 t -156.45 169.9 23.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.2 m -157.38 174.85 14.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.708 HD23 ' H ' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -90.54 43.01 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.0 m -163.48 154.77 16.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -80.5 -51.71 8.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.58 -40.13 77.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -49.39 -19.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 tp -92.92 -63.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -41.43 -39.81 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.3 t -80.02 -35.76 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.618 ' CE1' HG21 ' A' ' 32' ' ' VAL . 36.1 t60 -49.32 -57.59 6.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.482 HG23 ' HB2' ' A' ' 33' ' ' HIS . 87.3 mt -66.92 -41.17 87.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -46.1 -21.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -126.46 -64.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.618 HG21 ' CE1' ' A' ' 28' ' ' HIS . 76.1 t -39.7 -59.58 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.482 ' HB2' HG23 ' A' ' 29' ' ' ILE . 56.1 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.818 0.342 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.2 t -47.98 129.05 14.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -76.49 -45.39 31.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -45.33 -59.21 2.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 p -118.1 177.58 4.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.6 p -85.51 42.72 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.401 ' CE1' ' O ' ' A' ' 18' ' ' THR . 18.1 t80 -95.32 146.71 24.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.401 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 79.2 p -126.25 149.22 49.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.0 t -135.42 158.02 45.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.598 HD23 ' H ' ' A' ' 20' ' ' LEU . 1.7 pt? -96.09 -30.4 13.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.6 t -112.49 154.16 26.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -63.06 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.13 -47.13 33.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -52.17 -46.53 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.3 tp -49.59 -62.69 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -39.42 -50.01 2.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 63.1 t -49.45 -50.75 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.615 ' CE1' HG21 ' A' ' 32' ' ' VAL . 13.4 t60 -51.15 -27.9 9.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.407 HG23 ' HB2' ' A' ' 33' ' ' HIS . 20.9 mm -80.97 -41.4 19.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -68.48 -11.11 59.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 31' ' ' ARG . 11.0 mtm105 -109.9 -36.98 5.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.615 HG21 ' CE1' ' A' ' 28' ' ' HIS . 69.2 t -92.94 -66.32 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.407 ' HB2' HG23 ' A' ' 29' ' ' ILE . 15.3 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.805 0.336 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.2 t -48.01 120.56 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -78.92 -45.47 20.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -43.79 -54.94 4.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.7 p -120.93 177.3 5.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.7 m -89.49 45.35 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.5 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 65.6 t80 -89.04 149.95 23.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 19' ' ' CYS . 46.7 m -126.5 154.8 43.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.432 ' N ' HG22 ' A' ' 18' ' ' THR . 30.3 p -150.08 176.32 10.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mp -112.95 -50.15 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 t -72.99 172.89 10.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -85.16 -46.32 11.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.507 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -72.03 -16.71 76.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -55.23 -21.02 12.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.8 tp -83.15 -53.16 5.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 27' ' ' VAL . 45.1 pttt -56.24 -35.12 67.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 23' ' ' GLY . 10.1 p -80.88 -31.29 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 1.156 ' CE1' HG11 ' A' ' 32' ' ' VAL . 64.1 t60 -51.3 -66.66 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.52 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.4 mp -57.3 -26.99 27.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -51.66 -41.28 61.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' VAL . 38.9 mtp180 -125.21 -59.15 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.156 HG11 ' CE1' ' A' ' 28' ' ' HIS . 62.3 t -34.03 -39.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 43.3 m80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.83 0.347 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.6 t -61.55 121.46 12.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.53 -52.4 8.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -40.94 -47.74 3.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 p -125.27 147.89 48.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -83.43 51.9 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -96.01 142.66 27.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.6 p -131.12 152.27 50.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.86 176.08 12.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.9 mt -96.55 -45.85 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.0 t -68.29 115.84 8.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -16.86 4.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 25' ' ' LEU . . . -85.12 -46.52 5.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 23' ' ' GLY . 2.8 t-80 -37.67 -28.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 23' ' ' GLY . 35.2 tp -76.44 -55.8 5.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -55.53 -34.3 64.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -84.92 -36.01 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.74 ' CE1' HG21 ' A' ' 32' ' ' VAL . 23.4 t60 -52.65 -61.94 1.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.68 HG23 ' HB2' ' A' ' 33' ' ' HIS . 75.8 mt -60.42 -42.16 90.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -38.46 -39.74 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 31' ' ' ARG . 22.8 mtm105 -112.7 -55.48 2.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.74 HG21 ' CE1' ' A' ' 28' ' ' HIS . 88.3 t -41.19 -53.99 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.68 ' HB2' HG23 ' A' ' 29' ' ' ILE . 81.6 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.822 0.344 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.0 t -58.57 146.64 35.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' TYR . 5.3 m-20 -89.01 -52.58 5.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.621 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 90.1 m-85 -36.78 -49.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -130.3 176.61 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.3 m -90.63 48.95 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.441 ' CD2' ' CG ' ' A' ' 28' ' ' HIS . 47.4 t80 -103.33 144.0 31.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.0 t -137.75 163.87 30.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.413 ' C ' HD12 ' A' ' 20' ' ' LEU . 29.4 p -156.88 169.01 25.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.413 HD12 ' C ' ' A' ' 19' ' ' CYS . 10.2 mp -114.89 39.95 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.9 m -162.92 118.63 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 23' ' ' GLY . 13.2 ptpt -45.41 -37.79 5.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' A' ' 22' ' ' LYS . . . -69.77 -44.09 64.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -51.02 -45.22 61.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.811 0.339 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.8 tp -61.66 -46.24 90.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -53.37 -47.04 69.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.838 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.2 t -73.38 -35.9 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.441 ' CG ' ' CD2' ' A' ' 17' ' ' PHE . 6.7 t60 -50.67 -32.48 19.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.891 HG23 ' HB2' ' A' ' 33' ' ' HIS . 23.6 mt -89.55 -52.2 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -49.92 -21.23 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.5 tpt85 -103.15 -35.97 8.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.0 t -91.36 -69.7 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.891 ' HB2' HG23 ' A' ' 29' ' ' ILE . 10.8 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.85 0.357 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.5 t -55.53 139.65 43.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -82.54 -53.02 6.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -45.44 -46.38 13.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.0 p -132.0 167.26 19.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 t -93.2 61.0 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.812 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -99.26 147.59 25.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.2 p -114.15 139.56 49.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.7 p -130.34 162.18 29.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 tp -98.97 -58.66 1.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.4 m -84.32 174.36 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -76.05 -59.88 2.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 26' ' ' LYS . . . -46.37 -49.45 15.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.47 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -39.38 -39.14 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.8 tp -66.49 -40.65 89.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 23' ' ' GLY . 3.7 tppp? -69.68 -53.0 20.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.7 p -65.25 -20.27 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -63.68 -47.87 79.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.827 HG23 ' HB2' ' A' ' 33' ' ' HIS . 53.3 mt -76.7 -31.89 20.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -62.22 -24.47 67.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.82 -48.18 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.52 -68.02 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.827 ' HB2' HG23 ' A' ' 29' ' ' ILE . 29.3 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.838 0.351 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.8 t -50.97 144.13 9.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -89.56 -59.28 2.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.417 ' HB2' ' NE2' ' A' ' 33' ' ' HIS . 82.9 m-85 -40.12 -43.37 1.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 p -133.93 158.81 42.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.3 t -84.95 73.83 10.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 19' ' ' CYS . 44.7 t80 -103.72 120.34 40.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.7 p -110.13 134.9 51.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 1.8 t -155.58 177.35 11.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.481 ' N ' HD12 ' A' ' 20' ' ' LEU . 4.1 mp -122.65 70.27 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.8 t -174.89 140.82 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -77.6 -55.91 4.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.22 -39.78 82.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 25' ' ' LEU . 5.3 m170 -46.88 -53.94 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 24' ' ' HIS . 37.0 tp -37.64 -57.32 0.98 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -54.44 -58.98 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.8 t -46.53 -52.33 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.734 ' CE1' HG21 ' A' ' 32' ' ' VAL . 41.6 t60 -45.42 -67.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.499 HG23 ' HB2' ' A' ' 33' ' ' HIS . 63.1 mt -54.37 -28.01 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -65.44 -32.78 74.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HD3' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -125.41 28.96 6.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.734 HG21 ' CE1' ' A' ' 28' ' ' HIS . 19.3 t -134.77 -41.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.155 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.555 ' CE1' HG12 ' A' ' 32' ' ' VAL . 59.7 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.794 0.331 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.3 t -70.03 141.14 52.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.71 -64.21 1.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.545 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 45.3 m-85 -45.78 -64.05 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 p -105.61 173.0 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 90.9 p -96.14 66.02 2.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.45 ' CE2' ' HB3' ' A' ' 19' ' ' CYS . 12.5 t80 -97.83 134.94 40.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.3 p -111.66 144.86 40.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HB3' ' CE2' ' A' ' 17' ' ' PHE . 28.1 p -145.82 177.16 9.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 tp -102.67 -39.3 7.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.6 p -101.65 156.44 17.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.98 -17.56 30.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.49 -39.56 49.84 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -59.64 -41.3 90.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.89 0.376 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.6 tp -49.13 -48.23 44.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.43 -54.08 36.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.1 t -55.02 -43.82 71.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.826 ' CE1' HG11 ' A' ' 32' ' ' VAL . 85.4 t60 -49.97 -70.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.82 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.6 mt -57.53 -32.68 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -49.14 -40.05 31.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 31' ' ' ARG . 18.0 mtm105 -119.02 -60.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.826 HG11 ' CE1' ' A' ' 28' ' ' HIS . 47.3 t -39.5 -53.38 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.545 ' CE1' ' HB2' ' A' ' 14' ' ' TYR . 95.4 m-70 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.848 0.356 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.0 t -47.1 135.39 9.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -75.95 -54.91 6.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -43.35 -61.77 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.8 p -111.08 -179.17 3.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.0 p -105.99 43.94 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -103.94 145.83 29.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.0 t -153.09 168.28 26.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.142 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -158.9 174.69 14.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.645 HD23 ' H ' ' A' ' 20' ' ' LEU . 1.4 pt? -93.5 42.69 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -155.98 109.84 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -59.21 -51.81 68.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.2 -47.15 50.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.435 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -49.84 -44.69 49.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.6 tp -51.41 -41.08 60.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -53.27 -50.1 65.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.8 t -68.59 -33.82 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.121 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.81 ' O ' HG12 ' A' ' 32' ' ' VAL . 74.8 t60 -53.85 -70.36 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 52.9 mt -60.38 -29.38 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -65.81 -14.71 61.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' HIS . 13.9 mtp-105 -131.21 -63.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.81 HG12 ' O ' ' A' ' 28' ' ' HIS . 6.3 p -42.02 -23.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.609 ' CG ' HG13 ' A' ' 32' ' ' VAL . 27.4 m-70 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.876 0.369 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.3 t -46.99 134.09 10.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -83.62 -49.91 8.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -43.07 -45.39 5.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.4 p -135.66 167.36 21.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 t -83.73 60.65 5.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 19' ' ' CYS . 69.0 t80 -100.64 150.25 22.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.9 p -150.16 133.29 16.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 3.0 t -146.6 175.17 10.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 tp -94.47 -56.45 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.8 t -59.39 106.06 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -45.9 -47.37 16.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.46 -40.75 47.3 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.456 ' HA ' HG12 ' A' ' 27' ' ' VAL . 4.9 t60 -46.61 -26.43 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.4 tp -62.38 -39.08 92.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -69.57 -58.56 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.456 HG12 ' HA ' ' A' ' 24' ' ' HIS . 10.0 p -61.38 -28.64 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.441 ' CE1' ' CG ' ' A' ' 17' ' ' PHE . 49.3 t60 -61.38 -43.77 98.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.7 mt -82.64 -28.39 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -75.97 -15.41 60.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -108.55 -47.46 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.6 t -73.61 -72.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.5 m -120.79 -45.16 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 t -49.76 138.2 14.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.89 -103.07 0.16 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.7 t -89.77 110.93 21.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -97.07 150.21 21.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . 130.93 -79.86 0.35 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 7' ' ' GLY . 13.3 pt-20 34.52 42.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -142.72 139.86 31.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.953 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -85.96 155.23 20.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -134.47 157.91 45.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.062 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.9 t -53.5 140.4 28.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 14' ' ' TYR . 18.4 t0 -87.22 -62.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' ASP . 15.2 m-85 -36.4 -43.97 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.8 p -129.99 165.8 21.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.3 m -98.5 58.85 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -103.65 133.84 47.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.1 p -106.95 133.39 51.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.134 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.8 p -112.79 177.51 4.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.686 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -109.06 -43.07 4.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 91.6 p -103.92 160.86 14.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -67.22 -47.2 71.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.61 -42.28 84.11 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -49.32 -36.95 22.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.566 ' O ' HD12 ' A' ' 29' ' ' ILE . 31.2 tp -64.4 -38.06 89.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -71.22 -61.07 1.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.1 p -52.4 -18.58 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.571 ' CE1' HG11 ' A' ' 32' ' ' VAL . 77.1 t60 -66.67 -71.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.728 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.6 mp -61.81 -13.07 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -59.81 -51.67 68.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 ptt85 -120.85 -53.23 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.571 HG11 ' CE1' ' A' ' 28' ' ' HIS . 22.7 t -37.5 -34.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -111.38 -64.68 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.3 tttp 43.91 34.34 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -68.21 109.53 3.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.7 mt -96.34 121.34 46.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.0 tptt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.827 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.7 m -107.89 176.9 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.892 0.377 . . . . 0.0 110.827 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 p -170.05 138.35 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.59 -112.58 0.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.529 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.3 p -95.92 42.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.382 . . . . 0.0 110.893 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 7' ' ' GLY . 23.3 t 55.25 42.3 30.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.796 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.03 42.48 0.36 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -99.53 108.52 20.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.896 0.379 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -103.25 165.72 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -130.48 128.91 42.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -120.64 151.73 39.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.8 t -68.87 122.75 19.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -77.01 -48.84 16.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -40.41 -62.22 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.1 p -120.7 173.31 7.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 m -90.2 59.88 4.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.583 ' CD2' ' ND1' ' A' ' 28' ' ' HIS . 32.8 t80 -103.88 141.03 36.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.8 p -152.36 150.6 29.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.184 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -142.2 173.23 11.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.764 HD22 ' O ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -85.46 0.01 53.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -116.46 156.78 26.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm -83.85 -49.77 8.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.75 -14.55 7.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.524 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -55.61 -37.91 68.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.841 0.353 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.3 tp -63.07 -24.53 67.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -79.45 -60.44 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -61.61 -13.49 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.583 ' ND1' ' CD2' ' A' ' 17' ' ' PHE . 77.5 t60 -70.82 -70.78 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.492 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.4 mp -61.24 -26.84 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.414 ' O ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -66.56 -24.77 66.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -126.93 -64.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.579 HG21 ' ND1' ' A' ' 28' ' ' HIS . 90.6 t -41.74 -68.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -91.6 95.19 9.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -125.01 78.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -148.7 143.3 26.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.547 HD13 ' H ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -82.53 143.76 11.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.15 179.848 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.856 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m -84.13 166.07 17.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.383 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 t -103.25 158.84 16.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.825 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.96 -106.21 0.28 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 m -45.93 122.29 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.851 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -157.24 118.14 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.5 40.57 97.92 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.544 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -108.07 82.35 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.912 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -108.8 39.79 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -124.0 101.83 7.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -136.19 151.59 49.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -55.94 134.28 52.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -82.88 -47.07 12.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -52.96 -44.92 67.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.974 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.6 p -131.29 175.28 9.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 t -93.96 53.8 1.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 19' ' ' CYS . 7.4 t80 -91.99 125.29 36.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.5 p -114.18 138.76 50.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.109 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 2.9 t -148.07 169.43 19.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 tp -117.03 46.99 1.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.0 m -147.08 154.63 41.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -84.41 -42.14 15.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.32 -39.98 14.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -52.16 -18.26 1.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.61 ' O ' HD12 ' A' ' 25' ' ' LEU . 8.5 tp -85.97 -28.08 24.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -35.39 27.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.9 p -79.4 -24.7 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -58.03 -47.0 84.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.637 HG23 ' HB2' ' A' ' 33' ' ' HIS . 4.5 mp -83.92 -34.79 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -60.2 -11.29 5.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.4 mmm-85 -123.86 -60.98 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.6 t -54.58 -74.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.637 ' HB2' HG23 ' A' ' 29' ' ' ILE . 24.0 m-70 -87.3 74.52 9.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -116.06 139.13 50.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -109.0 80.24 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.067 HD13 ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -71.76 147.3 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 1.067 ' N ' HD13 ' A' ' 36' ' ' ILE . 24.5 pttt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 t -90.92 135.29 33.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 110.883 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -58.67 138.05 57.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.34 -162.06 1.6 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.54 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.6 p -90.15 -23.63 21.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -74.04 -43.28 58.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.17 -136.26 13.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -164.83 134.46 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -123.61 171.49 9.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -134.92 127.1 29.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -115.89 118.05 31.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.8 t -47.38 143.36 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -85.86 -60.34 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.479 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 30.6 m-85 -41.38 -57.84 2.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 p -115.37 172.81 6.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.4 t -87.66 46.15 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -97.31 126.2 42.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.9 m -113.04 151.5 30.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.9 t -158.72 151.58 22.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.1 mt -85.91 -54.98 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.8 t -63.77 140.14 58.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -54.92 10.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.15 -39.81 42.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.486 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -52.87 -55.92 19.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.3 tp -55.99 -47.86 76.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -52.27 -58.96 5.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.7 t -58.05 -39.86 74.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -51.76 -54.9 23.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.615 HG23 ' HB2' ' A' ' 33' ' ' HIS . 17.5 mt -74.61 -35.16 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -64.29 -11.1 28.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -122.58 -61.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.2 t -55.59 -63.29 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.615 ' HB2' HG23 ' A' ' 29' ' ' ILE . 99.0 m-70 -81.6 77.56 8.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -121.97 84.77 2.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.19 166.32 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.5 tt -107.84 148.68 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' C ' ' HD3' ' A' ' 37' ' ' LYS . 4.0 tmtm? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.7 p -64.6 140.18 58.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.807 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -84.26 -46.26 12.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.87 -137.81 16.59 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 m -132.51 170.59 14.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -113.71 -59.26 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.01 -126.02 3.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -149.52 121.06 7.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.949 0.404 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.459 ' HG2' ' N ' ' A' ' 10' ' ' PHE . 27.9 ttmt -134.64 155.11 51.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.459 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 76.7 m-85 -107.83 103.47 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -104.13 123.55 47.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.3 t -55.31 123.4 13.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.95 -43.92 28.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -40.04 -47.15 2.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.2 p -129.26 168.83 15.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 t -88.13 40.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -86.76 137.56 32.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.7 p -122.19 136.47 54.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.2 p -145.28 153.41 41.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.656 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.8 pp -114.27 42.96 1.97 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -163.26 117.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -43.56 -56.4 3.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -46.78 -51.3 13.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.541 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -45.77 -45.07 14.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.9 tp -61.45 -44.81 96.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -58.02 -53.61 56.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.3 p -65.65 -30.16 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.745 ' ND1' HG21 ' A' ' 32' ' ' VAL . 40.5 t60 -59.67 -61.02 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.477 HG23 ' HB2' ' A' ' 33' ' ' HIS . 60.0 mt -63.33 -30.94 51.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -49.25 -36.96 21.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -117.61 -54.17 2.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.745 HG21 ' ND1' ' A' ' 28' ' ' HIS . 91.3 t -42.62 -43.33 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.677 ' CE1' HG12 ' A' ' 32' ' ' VAL . 52.6 m-70 -134.6 74.89 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -56.7 155.27 7.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -67.14 142.14 57.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.448 HG23 ' N ' ' A' ' 37' ' ' LYS . 7.1 tt -56.14 -42.23 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.448 ' N ' HG23 ' A' ' 36' ' ' ILE . 21.0 mttp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -76.07 -55.01 5.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.849 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -89.33 42.54 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.9 108.64 0.42 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 6' ' ' SER . 88.5 p -141.44 176.86 8.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.859 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 5' ' ' SER . 46.1 t 36.65 40.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.0 166.75 0.4 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -134.0 86.05 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 110.936 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.34 141.36 28.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -109.13 104.54 13.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -115.25 150.38 36.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.8 t -57.93 135.54 56.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -77.23 -56.69 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.538 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 29.7 m-85 -40.7 -59.35 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.2 p -110.11 157.03 19.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.0 t -81.83 44.89 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -93.05 136.96 32.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.5 m -105.89 149.03 26.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.1 t -146.62 166.67 25.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -114.46 -45.47 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.1 p -95.86 156.64 16.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -74.7 -47.22 32.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -42.46 -59.21 3.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -49.24 -47.76 46.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.836 0.35 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.3 tp -56.54 -28.22 59.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -74.95 -59.48 2.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.75 -18.52 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.927 ' CE1' HG11 ' A' ' 32' ' ' VAL . 34.1 t60 -65.12 -64.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.729 HG23 ' HB2' ' A' ' 33' ' ' HIS . 97.1 mt -59.88 -41.8 87.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -40.02 -30.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.7 mtt-85 -123.47 -62.36 1.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.927 HG11 ' CE1' ' A' ' 28' ' ' HIS . 96.1 t -38.4 -47.24 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.729 ' HB2' HG23 ' A' ' 29' ' ' ILE . 94.3 m-70 -115.7 89.73 3.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -108.49 40.41 1.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' ILE . 71.5 mttt -69.04 -41.6 77.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.599 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.5 pp -34.47 135.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.855 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.2 m -122.05 89.02 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -158.58 167.43 29.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.851 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.45 -140.57 6.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.1 p -98.28 132.25 43.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.901 0.381 . . . . 0.0 110.875 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 m -109.63 101.03 9.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.98 -179.18 3.2 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.6 135.78 52.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -127.86 84.97 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -91.77 127.81 37.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -108.76 141.48 40.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.078 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -56.14 125.9 23.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -71.44 -69.51 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.542 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 46.3 m-85 -34.5 -52.01 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 p -123.6 139.23 54.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.1 m -72.54 66.63 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.424 ' CE2' ' O ' ' A' ' 18' ' ' THR . 65.3 t80 -102.13 144.63 30.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.424 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 73.4 p -106.47 144.08 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.6 p -134.31 155.5 50.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mp -105.92 -57.13 2.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 24' ' ' HIS . 17.6 m -88.93 110.08 20.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 23' ' ' GLY . 1.2 pptp? -36.57 -34.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.458 ' N ' ' HD2' ' A' ' 22' ' ' LYS . . . -67.28 -44.4 85.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.518 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 21' ' ' SER . 18.7 t60 -50.62 -53.03 34.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.3 tp -36.9 -53.32 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -46.18 -46.7 17.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.0 t -59.35 -46.24 92.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.52 ' CE1' HG11 ' A' ' 32' ' ' VAL . 81.5 t60 -44.59 -64.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.457 HG23 ' HB2' ' A' ' 33' ' ' HIS . 86.8 mt -63.21 -44.12 99.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.1 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -42.51 -23.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 29' ' ' ILE . 44.2 mtp85 -130.02 -65.87 0.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.52 HG11 ' CE1' ' A' ' 28' ' ' HIS . 57.6 t -40.44 -52.04 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.542 ' CE1' ' HB2' ' A' ' 14' ' ' TYR . 82.8 m-70 -112.38 87.55 2.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.1 tptt -104.25 137.63 41.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -163.73 154.32 15.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.9 mp -70.66 137.18 24.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 179.83 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 m -122.89 107.78 12.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 110.844 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.4 m -152.7 163.85 38.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.44 -178.27 27.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 t 59.85 42.51 16.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.911 0.386 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 m -100.87 -55.9 2.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.93 171.05 12.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -82.24 112.65 19.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.934 0.397 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -74.45 177.06 6.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -135.56 121.03 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -120.38 139.77 52.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.1 t -48.26 135.64 13.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -82.89 -54.77 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.585 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 79.6 m-85 -44.96 -46.99 11.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.5 p -125.13 173.04 9.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -88.82 43.61 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 6.7 t80 -93.16 135.5 34.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.401 HG22 ' N ' ' A' ' 19' ' ' CYS . 33.9 m -142.7 153.63 43.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.401 ' N ' HG22 ' A' ' 18' ' ' THR . 2.0 m -149.99 162.03 41.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.541 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -64.88 -47.3 78.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.439 ' HG ' ' CG ' ' A' ' 24' ' ' HIS . 69.1 p -88.04 139.73 30.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -82.5 -49.71 9.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -43.08 -41.96 4.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.439 ' CG ' ' HG ' ' A' ' 21' ' ' SER . 4.9 m80 -57.95 -49.65 76.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.4 tp -41.84 -31.29 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -58.26 -55.34 36.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.1 t -54.56 -38.48 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.124 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.486 ' O ' HG23 ' A' ' 32' ' ' VAL . 73.7 t60 -54.24 -70.06 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.616 HG23 ' HB2' ' A' ' 33' ' ' HIS . 68.3 mt -59.34 -40.09 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -38.62 -41.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -115.54 -52.67 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 28' ' ' HIS . 84.3 t -46.61 -56.49 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.616 ' HB2' HG23 ' A' ' 29' ' ' ILE . 96.7 m-70 -110.72 83.69 1.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -125.67 -56.18 1.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -91.98 139.34 30.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.6 mt -96.25 131.79 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 1' ' ' GLY . 41.8 t -36.85 -44.46 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.38 . . . . 0.0 110.86 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -129.92 125.56 35.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.42 127.37 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.9 m -134.03 93.31 3.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.872 0.368 . . . . 0.0 110.85 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 m -86.02 -42.78 13.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.34 -167.56 39.97 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 9' ' ' LYS . 24.2 pt-20 -82.12 43.09 0.77 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.934 0.397 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 8' ' ' GLU . 3.0 mmpt? 37.37 44.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -85.97 99.95 11.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -114.68 159.95 19.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.0 t -65.16 133.8 52.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 14' ' ' TYR . 1.1 m-20 -75.79 -56.28 4.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 13' ' ' ASP . 69.9 m-85 -35.13 -60.31 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.96 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 p -117.79 160.26 21.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -85.58 53.07 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -103.78 135.03 46.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.6 p -104.8 151.81 23.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.5 t -138.93 152.5 47.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 20' ' ' LEU . 2.9 mm? -84.4 -56.71 3.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.7 m -90.97 138.5 31.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -64.45 -53.48 47.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -42.42 -39.75 3.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -60.02 -50.58 73.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 110.794 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.1 tp -45.55 -43.87 12.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -52.07 -42.14 62.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.5 t -78.68 -41.86 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.524 ' O ' HG23 ' A' ' 32' ' ' VAL . 23.8 t60 -43.04 -45.55 5.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.51 HG23 ' HB2' ' A' ' 33' ' ' HIS . 28.6 mt -80.9 -37.95 16.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -58.89 -11.28 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -120.28 -58.84 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 28' ' ' HIS . 49.1 t -58.84 -64.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.51 ' HB2' HG23 ' A' ' 29' ' ' ILE . 6.2 m-70 -101.95 85.85 2.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -79.3 48.18 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt 53.42 40.61 31.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.6 tp -63.32 140.54 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.108 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.856 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 p -94.81 169.71 9.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.839 0.352 . . . . 0.0 110.883 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -91.21 142.39 27.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.803 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.41 51.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.451 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.0 p -75.3 -51.96 11.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 p -110.8 78.2 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.809 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.72 -116.2 2.36 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.442 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 56.91 54.59 6.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.08 130.95 54.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -92.5 125.78 37.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -121.55 140.97 51.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.078 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.6 t -53.09 124.54 14.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -81.93 -44.36 16.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.428 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 96.2 m-85 -47.61 -44.62 26.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.5 p -129.86 177.96 6.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.8 t -94.28 43.62 1.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.424 ' CE2' ' HB2' ' A' ' 19' ' ' CYS . 78.2 t80 -86.3 152.77 22.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.4 p -139.58 143.95 37.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.424 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 1.8 t -158.06 158.06 34.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.8 mp -87.54 -62.7 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.472 ' HB3' ' CG ' ' A' ' 24' ' ' HIS . 1.5 t -47.4 150.97 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -85.55 -55.78 3.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.71 -33.79 55.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.508 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.472 ' CG ' ' HB3' ' A' ' 21' ' ' SER . 10.5 m170 -48.93 -45.8 42.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 110.828 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.0 tp -44.67 -23.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 tptp -83.08 -58.01 3.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.418 ' HA ' ' CD ' ' A' ' 30' ' ' GLU . 4.2 p -56.47 -13.17 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.768 ' CE1' HG21 ' A' ' 32' ' ' VAL . 17.9 t60 -80.02 -59.22 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.891 HG23 ' HB2' ' A' ' 33' ' ' HIS . 80.8 mt -66.21 -38.46 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' CD ' ' HA ' ' A' ' 27' ' ' VAL . 13.9 pt-20 -50.92 -18.98 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -123.71 -61.98 1.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.768 HG21 ' CE1' ' A' ' 28' ' ' HIS . 72.1 t -46.88 -55.13 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.891 ' HB2' HG23 ' A' ' 29' ' ' ILE . 73.3 m-70 -102.83 84.65 2.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -54.59 164.4 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.53 -44.36 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 37' ' ' LYS . 36.5 pt -57.16 -37.96 58.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.459 ' N ' HG13 ' A' ' 36' ' ' ILE . 44.9 mttt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -47.72 -61.1 2.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 t -119.0 144.15 46.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.32 -172.78 0.1 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.5 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.0 p -91.7 43.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.864 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p -63.79 -45.08 91.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.47 -126.53 2.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -136.13 156.78 48.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.41 143.12 31.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -139.82 111.38 7.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -121.04 151.03 40.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.7 t -56.19 151.8 11.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.49 -62.36 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -42.02 -57.01 2.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.9 p -115.23 169.36 9.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 m -94.04 52.01 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.575 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 24.9 t80 -99.78 147.79 25.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.1 t -156.45 169.9 23.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.2 m -157.38 174.85 14.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.708 HD23 ' H ' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -90.54 43.01 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.0 m -163.48 154.77 16.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -80.5 -51.71 8.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.58 -40.13 77.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -49.39 -19.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 tp -92.92 -63.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -41.43 -39.81 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.3 t -80.02 -35.76 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.618 ' CE1' HG21 ' A' ' 32' ' ' VAL . 36.1 t60 -49.32 -57.59 6.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.482 HG23 ' HB2' ' A' ' 33' ' ' HIS . 87.3 mt -66.92 -41.17 87.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -46.1 -21.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -126.46 -64.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.618 HG21 ' CE1' ' A' ' 28' ' ' HIS . 76.1 t -39.7 -59.58 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.482 ' HB2' HG23 ' A' ' 29' ' ' ILE . 56.1 m-70 -112.08 103.75 11.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -103.79 176.61 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -134.32 127.01 30.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.9 pt -89.24 40.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.839 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 p -135.37 118.95 16.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.921 0.391 . . . . 0.0 110.795 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p -114.54 80.75 1.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.82 145.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.463 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -101.52 81.34 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.0 m -162.06 136.31 6.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.4 -146.82 17.24 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.548 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -101.85 86.23 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.387 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -144.56 172.72 12.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -131.41 131.85 43.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -132.07 144.83 51.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.076 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.2 t -47.98 129.05 14.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -76.49 -45.39 31.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -45.33 -59.21 2.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 p -118.1 177.58 4.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.6 p -85.51 42.72 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.401 ' CE1' ' O ' ' A' ' 18' ' ' THR . 18.1 t80 -95.32 146.71 24.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.401 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 79.2 p -126.25 149.22 49.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.0 t -135.42 158.02 45.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.598 HD23 ' H ' ' A' ' 20' ' ' LEU . 1.7 pt? -96.09 -30.4 13.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.6 t -112.49 154.16 26.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -63.06 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.13 -47.13 33.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -52.17 -46.53 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.3 tp -49.59 -62.69 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -39.42 -50.01 2.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 63.1 t -49.45 -50.75 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.615 ' CE1' HG21 ' A' ' 32' ' ' VAL . 13.4 t60 -51.15 -27.9 9.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.407 HG23 ' HB2' ' A' ' 33' ' ' HIS . 20.9 mm -80.97 -41.4 19.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -68.48 -11.11 59.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 31' ' ' ARG . 11.0 mtm105 -109.9 -36.98 5.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.615 HG21 ' CE1' ' A' ' 28' ' ' HIS . 69.2 t -92.94 -66.32 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.407 ' HB2' HG23 ' A' ' 29' ' ' ILE . 15.3 m-70 -98.16 88.16 4.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -91.03 102.58 15.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -76.2 -55.15 5.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.894 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.1 tt -57.49 126.04 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.854 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -47.26 169.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.857 0.36 . . . . 0.0 110.886 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -129.02 41.75 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.46 109.62 3.38 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 t -63.99 104.15 0.68 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.897 0.38 . . . . 0.0 110.864 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -79.34 135.98 36.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.43 -142.91 4.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -112.75 83.94 1.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.863 0.363 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -174.39 171.9 3.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -133.79 139.93 46.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.17 142.59 27.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.2 t -48.01 120.56 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -78.92 -45.47 20.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -43.79 -54.94 4.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.7 p -120.93 177.3 5.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.7 m -89.49 45.35 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.5 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 65.6 t80 -89.04 149.95 23.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 19' ' ' CYS . 46.7 m -126.5 154.8 43.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.432 ' N ' HG22 ' A' ' 18' ' ' THR . 30.3 p -150.08 176.32 10.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mp -112.95 -50.15 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 t -72.99 172.89 10.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -85.16 -46.32 11.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.507 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -72.03 -16.71 76.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -55.23 -21.02 12.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.8 tp -83.15 -53.16 5.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 27' ' ' VAL . 45.1 pttt -56.24 -35.12 67.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 23' ' ' GLY . 10.1 p -80.88 -31.29 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 1.156 ' CE1' HG11 ' A' ' 32' ' ' VAL . 64.1 t60 -51.3 -66.66 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.52 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.4 mp -57.3 -26.99 27.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -51.66 -41.28 61.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' VAL . 38.9 mtp180 -125.21 -59.15 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.156 HG11 ' CE1' ' A' ' 28' ' ' HIS . 62.3 t -34.03 -39.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -98.21 -74.23 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -150.96 140.83 21.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -105.14 88.37 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.433 HD13 ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -38.92 133.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.843 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 t -114.46 86.12 2.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.827 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 p -112.74 131.33 55.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.59 -123.15 6.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -145.53 107.83 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 0.0 110.848 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.6 p -87.75 41.55 1.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.34 -175.47 46.13 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -86.2 89.01 7.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.919 0.39 . . . . 0.0 110.902 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.97 87.48 2.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.963 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -96.98 138.35 34.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -137.78 155.05 49.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.6 t -61.55 121.46 12.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.53 -52.4 8.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -40.94 -47.74 3.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 p -125.27 147.89 48.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -83.43 51.9 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -96.01 142.66 27.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.6 p -131.12 152.27 50.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.86 176.08 12.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.9 mt -96.55 -45.85 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.0 t -68.29 115.84 8.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -16.86 4.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 25' ' ' LEU . . . -85.12 -46.52 5.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 23' ' ' GLY . 2.8 t-80 -37.67 -28.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 23' ' ' GLY . 35.2 tp -76.44 -55.8 5.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -55.53 -34.3 64.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -84.92 -36.01 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.74 ' CE1' HG21 ' A' ' 32' ' ' VAL . 23.4 t60 -52.65 -61.94 1.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.68 HG23 ' HB2' ' A' ' 33' ' ' HIS . 75.8 mt -60.42 -42.16 90.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -38.46 -39.74 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 31' ' ' ARG . 22.8 mtm105 -112.7 -55.48 2.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.74 HG21 ' CE1' ' A' ' 28' ' ' HIS . 88.3 t -41.19 -53.99 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.68 ' HB2' HG23 ' A' ' 29' ' ' ILE . 81.6 m-70 -115.71 78.94 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -63.67 139.38 58.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -96.76 -52.57 3.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.882 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.461 ' N ' ' HD2' ' A' ' 35' ' ' LYS . 7.0 tp -74.1 136.31 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.887 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 3' ' ' SER . 4.7 t -134.9 84.08 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.351 . . . . 0.0 110.845 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 2' ' ' SER . 5.1 t 35.36 42.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.11 -110.07 2.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.7 p -132.55 167.95 19.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.3 p -92.42 41.12 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.08 165.13 37.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -112.14 40.88 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.915 0.388 . . . . 0.0 110.909 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -84.3 119.53 25.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -94.99 108.48 20.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -106.78 144.24 33.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.0 t -58.57 146.64 35.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' TYR . 5.3 m-20 -89.01 -52.58 5.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.621 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 90.1 m-85 -36.78 -49.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -130.3 176.61 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.3 m -90.63 48.95 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.441 ' CD2' ' CG ' ' A' ' 28' ' ' HIS . 47.4 t80 -103.33 144.0 31.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.0 t -137.75 163.87 30.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.413 ' C ' HD12 ' A' ' 20' ' ' LEU . 29.4 p -156.88 169.01 25.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.413 HD12 ' C ' ' A' ' 19' ' ' CYS . 10.2 mp -114.89 39.95 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.9 m -162.92 118.63 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 23' ' ' GLY . 13.2 ptpt -45.41 -37.79 5.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' A' ' 22' ' ' LYS . . . -69.77 -44.09 64.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -51.02 -45.22 61.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.811 0.339 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.8 tp -61.66 -46.24 90.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -53.37 -47.04 69.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.838 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.2 t -73.38 -35.9 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.441 ' CG ' ' CD2' ' A' ' 17' ' ' PHE . 6.7 t60 -50.67 -32.48 19.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.891 HG23 ' HB2' ' A' ' 33' ' ' HIS . 23.6 mt -89.55 -52.2 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -49.92 -21.23 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.5 tpt85 -103.15 -35.97 8.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.0 t -91.36 -69.7 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.891 ' HB2' HG23 ' A' ' 29' ' ' ILE . 10.8 m-70 -91.15 73.9 6.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -115.09 -43.68 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' LYS . 29.7 ttpt -37.7 -46.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.5 tt -89.84 132.16 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.2 tttp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.922 179.838 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 m -56.64 -43.86 80.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.921 0.391 . . . . 0.0 110.849 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 m -44.05 127.75 5.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.09 48.97 0.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.1 m -138.09 176.87 8.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 110.885 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.8 m -48.71 166.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.23 91.45 0.63 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -95.83 48.87 1.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.926 0.393 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.7 mmtt -140.12 121.88 15.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -87.43 120.58 28.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -118.54 154.66 32.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.5 t -55.53 139.65 43.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -82.54 -53.02 6.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -45.44 -46.38 13.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.0 p -132.0 167.26 19.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 t -93.2 61.0 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.812 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -99.26 147.59 25.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.2 p -114.15 139.56 49.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.7 p -130.34 162.18 29.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 tp -98.97 -58.66 1.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.4 m -84.32 174.36 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -76.05 -59.88 2.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 26' ' ' LYS . . . -46.37 -49.45 15.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.47 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -39.38 -39.14 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.8 tp -66.49 -40.65 89.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 23' ' ' GLY . 3.7 tppp? -69.68 -53.0 20.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.7 p -65.25 -20.27 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -63.68 -47.87 79.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.827 HG23 ' HB2' ' A' ' 33' ' ' HIS . 53.3 mt -76.7 -31.89 20.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -62.22 -24.47 67.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.82 -48.18 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.52 -68.02 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.827 ' HB2' HG23 ' A' ' 29' ' ' ILE . 29.3 m-70 -98.69 69.46 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? -80.92 141.88 34.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -52.13 109.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.594 HD12 ' N ' ' A' ' 37' ' ' LYS . 2.6 pp -89.77 -35.4 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.594 ' N ' HD12 ' A' ' 36' ' ' ILE . 61.9 mmtt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -71.11 -45.21 64.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.903 0.383 . . . . 0.0 110.881 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 m 57.61 42.07 24.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.96 -53.49 4.67 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -73.04 86.94 1.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 t -76.8 -49.49 15.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.83 149.55 15.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.524 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -45.46 104.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -146.3 158.03 43.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -133.15 118.98 19.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.03 141.18 38.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.8 t -50.97 144.13 9.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -89.56 -59.28 2.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.417 ' HB2' ' NE2' ' A' ' 33' ' ' HIS . 82.9 m-85 -40.12 -43.37 1.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 p -133.93 158.81 42.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.3 t -84.95 73.83 10.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 19' ' ' CYS . 44.7 t80 -103.72 120.34 40.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.7 p -110.13 134.9 51.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 1.8 t -155.58 177.35 11.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.481 ' N ' HD12 ' A' ' 20' ' ' LEU . 4.1 mp -122.65 70.27 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.8 t -174.89 140.82 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -77.6 -55.91 4.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.22 -39.78 82.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 25' ' ' LEU . 5.3 m170 -46.88 -53.94 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 24' ' ' HIS . 37.0 tp -37.64 -57.32 0.98 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -54.44 -58.98 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.8 t -46.53 -52.33 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.734 ' CE1' HG21 ' A' ' 32' ' ' VAL . 41.6 t60 -45.42 -67.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.56 HG22 ' HD3' ' A' ' 34' ' ' LYS . 63.1 mt -54.37 -28.01 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -65.44 -32.78 74.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HD3' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -125.41 28.96 6.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.734 HG21 ' CE1' ' A' ' 28' ' ' HIS . 19.3 t -134.77 -41.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.155 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.555 ' CE1' HG12 ' A' ' 32' ' ' VAL . 59.7 m-70 -123.94 -59.13 1.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.56 ' HD3' HG22 ' A' ' 29' ' ' ILE . 19.2 mtpp -79.96 43.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -102.95 -62.43 1.28 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.934 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.465 HG13 ' N ' ' A' ' 37' ' ' LYS . 4.1 tp -60.44 146.56 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.465 ' N ' HG13 ' A' ' 36' ' ' ILE . 21.6 tptp . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -60.54 -57.01 14.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.903 0.382 . . . . 0.0 110.867 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.1 p -109.52 171.88 7.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.5 -158.97 9.95 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.0 p -102.43 -44.87 5.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.87 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.8 p -57.36 115.36 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.88 -144.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 46.79 51.17 12.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.927 0.394 . . . . 0.0 110.904 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -61.29 157.71 15.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.409 ' CZ ' ' HE3' ' A' ' 22' ' ' LYS . 29.2 m-85 -87.09 104.82 16.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -135.61 155.35 50.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.3 t -70.03 141.14 52.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.71 -64.21 1.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.545 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 45.3 m-85 -45.78 -64.05 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 p -105.61 173.0 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 90.9 p -96.14 66.02 2.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.45 ' CE2' ' HB3' ' A' ' 19' ' ' CYS . 12.5 t80 -97.83 134.94 40.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.3 p -111.66 144.86 40.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HB3' ' CE2' ' A' ' 17' ' ' PHE . 28.1 p -145.82 177.16 9.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 tp -102.67 -39.3 7.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.6 p -101.65 156.44 17.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' HE3' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -87.98 -17.56 30.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.49 -39.56 49.84 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -59.64 -41.3 90.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.89 0.376 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.6 tp -49.13 -48.23 44.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.43 -54.08 36.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.1 t -55.02 -43.82 71.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.826 ' CE1' HG11 ' A' ' 32' ' ' VAL . 85.4 t60 -49.97 -70.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.82 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.6 mt -57.53 -32.68 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -49.14 -40.05 31.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 31' ' ' ARG . 18.0 mtm105 -119.02 -60.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.826 HG11 ' CE1' ' A' ' 28' ' ' HIS . 47.3 t -39.5 -53.38 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.545 ' CE1' ' HB2' ' A' ' 14' ' ' TYR . 95.4 m-70 -106.77 81.22 1.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -95.0 133.63 38.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -63.05 122.91 17.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.1 mm -109.1 146.02 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.9 tptm . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.887 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.1 m -79.42 149.78 31.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.896 0.379 . . . . 0.0 110.862 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.7 m -40.52 -50.25 2.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.42 112.26 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -96.41 42.61 1.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.873 0.368 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 m -118.96 100.88 7.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.12 92.07 0.51 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.417 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -129.57 43.07 3.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.32 144.87 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -102.71 105.11 15.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -112.77 154.83 25.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.0 t -47.1 135.39 9.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -75.95 -54.91 6.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -43.35 -61.77 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.8 p -111.08 -179.17 3.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.0 p -105.99 43.94 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -103.94 145.83 29.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.0 t -153.09 168.28 26.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.142 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -158.9 174.69 14.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.645 HD23 ' H ' ' A' ' 20' ' ' LEU . 1.4 pt? -93.5 42.69 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -155.98 109.84 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -59.21 -51.81 68.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.2 -47.15 50.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.435 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -49.84 -44.69 49.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.6 tp -51.41 -41.08 60.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -53.27 -50.1 65.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.8 t -68.59 -33.82 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.121 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.81 ' O ' HG12 ' A' ' 32' ' ' VAL . 74.8 t60 -53.85 -70.36 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 52.9 mt -60.38 -29.38 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -65.81 -14.71 61.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' HIS . 13.9 mtp-105 -131.21 -63.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.81 HG12 ' O ' ' A' ' 28' ' ' HIS . 6.3 p -42.02 -23.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.609 ' CG ' HG13 ' A' ' 32' ' ' VAL . 27.4 m-70 -132.47 80.59 1.91 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -127.17 125.78 41.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -96.79 37.7 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.4 mt -116.45 98.33 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.9 mttp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.867 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -91.35 84.02 5.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.376 . . . . 0.0 110.837 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -132.46 173.76 10.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.69 97.57 0.17 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.5 p -123.57 -36.8 2.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 110.869 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 m -88.2 52.73 2.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.15 -44.13 98.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -77.11 92.36 3.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 ttpp -163.69 129.91 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -123.72 116.91 23.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.0 133.11 31.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.093 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.3 t -46.99 134.09 10.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -83.62 -49.91 8.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -43.07 -45.39 5.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.4 p -135.66 167.36 21.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 t -83.73 60.65 5.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 19' ' ' CYS . 69.0 t80 -100.64 150.25 22.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.9 p -150.16 133.29 16.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 3.0 t -146.6 175.17 10.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 tp -94.47 -56.45 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.8 t -59.39 106.06 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -45.9 -47.37 16.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.46 -40.75 47.3 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.456 ' HA ' HG12 ' A' ' 27' ' ' VAL . 4.9 t60 -46.61 -26.43 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.4 tp -62.38 -39.08 92.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -69.57 -58.56 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.456 HG12 ' HA ' ' A' ' 24' ' ' HIS . 10.0 p -61.38 -28.64 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.441 ' CE1' ' CG ' ' A' ' 17' ' ' PHE . 49.3 t60 -61.38 -43.77 98.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.7 mt -82.64 -28.39 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -75.97 -15.41 60.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -108.55 -47.46 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.6 t -73.61 -72.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -91.7 75.98 5.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -82.1 150.25 27.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -74.26 173.43 10.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 mp -115.73 135.69 55.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.147 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.9 tptt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.821 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.891 0.376 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.9 t -53.5 140.4 28.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 14' ' ' TYR . 18.4 t0 -87.22 -62.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' ASP . 15.2 m-85 -36.4 -43.97 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.8 p -129.99 165.8 21.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.3 m -98.5 58.85 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -103.65 133.84 47.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.1 p -106.95 133.39 51.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.134 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.8 p -112.79 177.51 4.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.686 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -109.06 -43.07 4.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 91.6 p -103.92 160.86 14.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -67.22 -47.2 71.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.61 -42.28 84.11 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -49.32 -36.95 22.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.566 ' O ' HD12 ' A' ' 29' ' ' ILE . 31.2 tp -64.4 -38.06 89.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -71.22 -61.07 1.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.1 p -52.4 -18.58 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.571 ' CE1' HG11 ' A' ' 32' ' ' VAL . 77.1 t60 -66.67 -71.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.728 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.6 mp -61.81 -13.07 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -59.81 -51.67 68.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 ptt85 -120.85 -53.23 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.571 HG11 ' CE1' ' A' ' 28' ' ' HIS . 22.7 t -37.5 -34.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.939 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.794 0.33 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.8 t -68.87 122.75 19.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -77.01 -48.84 16.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -40.41 -62.22 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.1 p -120.7 173.31 7.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 m -90.2 59.88 4.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.583 ' CD2' ' ND1' ' A' ' 28' ' ' HIS . 32.8 t80 -103.88 141.03 36.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.8 p -152.36 150.6 29.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.184 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -142.2 173.23 11.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.764 HD22 ' O ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -85.46 0.01 53.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -116.46 156.78 26.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm -83.85 -49.77 8.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.75 -14.55 7.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.524 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -55.61 -37.91 68.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.841 0.353 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.3 tp -63.07 -24.53 67.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -79.45 -60.44 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -61.61 -13.49 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.583 ' ND1' ' CD2' ' A' ' 17' ' ' PHE . 77.5 t60 -70.82 -70.78 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.492 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.4 mp -61.24 -26.84 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.414 ' O ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -66.56 -24.77 66.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -126.93 -64.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.579 HG21 ' ND1' ' A' ' 28' ' ' HIS . 90.6 t -41.74 -68.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.855 0.36 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -55.94 134.28 52.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -82.88 -47.07 12.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -52.96 -44.92 67.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.974 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.6 p -131.29 175.28 9.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 t -93.96 53.8 1.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 19' ' ' CYS . 7.4 t80 -91.99 125.29 36.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.5 p -114.18 138.76 50.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.109 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 2.9 t -148.07 169.43 19.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 tp -117.03 46.99 1.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.0 m -147.08 154.63 41.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -84.41 -42.14 15.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.32 -39.98 14.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -52.16 -18.26 1.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.61 ' O ' HD12 ' A' ' 25' ' ' LEU . 8.5 tp -85.97 -28.08 24.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -35.39 27.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.9 p -79.4 -24.7 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -58.03 -47.0 84.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.637 HG23 ' HB2' ' A' ' 33' ' ' HIS . 4.5 mp -83.92 -34.79 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -60.2 -11.29 5.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.4 mmm-85 -123.86 -60.98 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.6 t -54.58 -74.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.637 ' HB2' HG23 ' A' ' 29' ' ' ILE . 24.0 m-70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.832 0.348 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.8 t -47.38 143.36 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -85.86 -60.34 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.479 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 30.6 m-85 -41.38 -57.84 2.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 p -115.37 172.81 6.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.4 t -87.66 46.15 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -97.31 126.2 42.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.9 m -113.04 151.5 30.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.9 t -158.72 151.58 22.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.1 mt -85.91 -54.98 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.8 t -63.77 140.14 58.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -54.92 10.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.15 -39.81 42.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.486 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -52.87 -55.92 19.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.3 tp -55.99 -47.86 76.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -52.27 -58.96 5.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.7 t -58.05 -39.86 74.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -51.76 -54.9 23.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.615 HG23 ' HB2' ' A' ' 33' ' ' HIS . 17.5 mt -74.61 -35.16 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -64.29 -11.1 28.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -122.58 -61.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.2 t -55.59 -63.29 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.615 ' HB2' HG23 ' A' ' 29' ' ' ILE . 99.0 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.805 0.336 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.3 t -55.31 123.4 13.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.95 -43.92 28.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -40.04 -47.15 2.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.2 p -129.26 168.83 15.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 t -88.13 40.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -86.76 137.56 32.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.7 p -122.19 136.47 54.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.2 p -145.28 153.41 41.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.656 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.8 pp -114.27 42.96 1.97 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -163.26 117.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -43.56 -56.4 3.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -46.78 -51.3 13.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.541 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -45.77 -45.07 14.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.9 tp -61.45 -44.81 96.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -58.02 -53.61 56.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.3 p -65.65 -30.16 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.745 ' ND1' HG21 ' A' ' 32' ' ' VAL . 40.5 t60 -59.67 -61.02 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.477 HG23 ' HB2' ' A' ' 33' ' ' HIS . 60.0 mt -63.33 -30.94 51.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -49.25 -36.96 21.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -117.61 -54.17 2.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.745 HG21 ' ND1' ' A' ' 28' ' ' HIS . 91.3 t -42.62 -43.33 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.677 ' CE1' HG12 ' A' ' 32' ' ' VAL . 52.6 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.858 0.361 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.8 t -57.93 135.54 56.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -77.23 -56.69 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.538 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 29.7 m-85 -40.7 -59.35 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.2 p -110.11 157.03 19.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.0 t -81.83 44.89 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -93.05 136.96 32.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.5 m -105.89 149.03 26.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.1 t -146.62 166.67 25.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -114.46 -45.47 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.1 p -95.86 156.64 16.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -74.7 -47.22 32.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -42.46 -59.21 3.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -49.24 -47.76 46.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.836 0.35 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.3 tp -56.54 -28.22 59.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -74.95 -59.48 2.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.75 -18.52 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.927 ' CE1' HG11 ' A' ' 32' ' ' VAL . 34.1 t60 -65.12 -64.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.729 HG23 ' HB2' ' A' ' 33' ' ' HIS . 97.1 mt -59.88 -41.8 87.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -40.02 -30.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.7 mtt-85 -123.47 -62.36 1.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.927 HG11 ' CE1' ' A' ' 28' ' ' HIS . 96.1 t -38.4 -47.24 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.729 ' HB2' HG23 ' A' ' 29' ' ' ILE . 94.3 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.846 0.355 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -56.14 125.9 23.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -71.44 -69.51 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.542 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 46.3 m-85 -34.5 -52.01 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 p -123.6 139.23 54.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.1 m -72.54 66.63 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.424 ' CE2' ' O ' ' A' ' 18' ' ' THR . 65.3 t80 -102.13 144.63 30.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.424 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 73.4 p -106.47 144.08 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.6 p -134.31 155.5 50.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mp -105.92 -57.13 2.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 24' ' ' HIS . 17.6 m -88.93 110.08 20.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 23' ' ' GLY . 1.2 pptp? -36.57 -34.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.458 ' N ' ' HD2' ' A' ' 22' ' ' LYS . . . -67.28 -44.4 85.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.518 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 21' ' ' SER . 18.7 t60 -50.62 -53.03 34.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.3 tp -36.9 -53.32 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -46.18 -46.7 17.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.0 t -59.35 -46.24 92.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.52 ' CE1' HG11 ' A' ' 32' ' ' VAL . 81.5 t60 -44.59 -64.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.457 HG23 ' HB2' ' A' ' 33' ' ' HIS . 86.8 mt -63.21 -44.12 99.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.1 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -42.51 -23.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 29' ' ' ILE . 44.2 mtp85 -130.02 -65.87 0.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.52 HG11 ' CE1' ' A' ' 28' ' ' HIS . 57.6 t -40.44 -52.04 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.542 ' CE1' ' HB2' ' A' ' 14' ' ' TYR . 82.8 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.843 0.354 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.1 t -48.26 135.64 13.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -82.89 -54.77 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.585 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 79.6 m-85 -44.96 -46.99 11.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.5 p -125.13 173.04 9.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -88.82 43.61 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 6.7 t80 -93.16 135.5 34.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.401 HG22 ' N ' ' A' ' 19' ' ' CYS . 33.9 m -142.7 153.63 43.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.401 ' N ' HG22 ' A' ' 18' ' ' THR . 2.0 m -149.99 162.03 41.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.541 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -64.88 -47.3 78.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.1 p -88.04 139.73 30.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -82.5 -49.71 9.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -43.08 -41.96 4.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -57.95 -49.65 76.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.4 tp -41.84 -31.29 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -58.26 -55.34 36.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.1 t -54.56 -38.48 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.124 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.486 ' O ' HG23 ' A' ' 32' ' ' VAL . 73.7 t60 -54.24 -70.06 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.616 HG23 ' HB2' ' A' ' 33' ' ' HIS . 68.3 mt -59.34 -40.09 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -38.62 -41.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -115.54 -52.67 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 28' ' ' HIS . 84.3 t -46.61 -56.49 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.616 ' HB2' HG23 ' A' ' 29' ' ' ILE . 96.7 m-70 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.863 0.363 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.0 t -65.16 133.8 52.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 14' ' ' TYR . 1.1 m-20 -75.79 -56.28 4.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 13' ' ' ASP . 69.9 m-85 -35.13 -60.31 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.96 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 p -117.79 160.26 21.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -85.58 53.07 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -103.78 135.03 46.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.6 p -104.8 151.81 23.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.5 t -138.93 152.5 47.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 20' ' ' LEU . 2.9 mm? -84.4 -56.71 3.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.7 m -90.97 138.5 31.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -64.45 -53.48 47.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -42.42 -39.75 3.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -60.02 -50.58 73.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 110.794 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.1 tp -45.55 -43.87 12.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -52.07 -42.14 62.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.5 t -78.68 -41.86 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.524 ' O ' HG23 ' A' ' 32' ' ' VAL . 23.8 t60 -43.04 -45.55 5.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.51 HG23 ' HB2' ' A' ' 33' ' ' HIS . 28.6 mt -80.9 -37.95 16.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -58.89 -11.28 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -120.28 -58.84 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 28' ' ' HIS . 49.1 t -58.84 -64.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.51 ' HB2' HG23 ' A' ' 29' ' ' ILE . 6.2 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.828 0.347 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.6 t -53.09 124.54 14.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -81.93 -44.36 16.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.428 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 96.2 m-85 -47.61 -44.62 26.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.5 p -129.86 177.96 6.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.8 t -94.28 43.62 1.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.424 ' CE2' ' HB2' ' A' ' 19' ' ' CYS . 78.2 t80 -86.3 152.77 22.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.4 p -139.58 143.95 37.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.424 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 1.8 t -158.06 158.06 34.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.8 mp -87.54 -62.7 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.472 ' HB3' ' CG ' ' A' ' 24' ' ' HIS . 1.5 t -47.4 150.97 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -85.55 -55.78 3.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.71 -33.79 55.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.508 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.472 ' CG ' ' HB3' ' A' ' 21' ' ' SER . 10.5 m170 -48.93 -45.8 42.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 110.828 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.0 tp -44.67 -23.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 tptp -83.08 -58.01 3.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.418 ' HA ' ' CD ' ' A' ' 30' ' ' GLU . 4.2 p -56.47 -13.17 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.768 ' CE1' HG21 ' A' ' 32' ' ' VAL . 17.9 t60 -80.02 -59.22 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.891 HG23 ' HB2' ' A' ' 33' ' ' HIS . 80.8 mt -66.21 -38.46 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' CD ' ' HA ' ' A' ' 27' ' ' VAL . 13.9 pt-20 -50.92 -18.98 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -123.71 -61.98 1.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.768 HG21 ' CE1' ' A' ' 28' ' ' HIS . 72.1 t -46.88 -55.13 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.891 ' HB2' HG23 ' A' ' 29' ' ' ILE . 73.3 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.857 0.36 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.7 t -56.19 151.8 11.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.49 -62.36 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -42.02 -57.01 2.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.9 p -115.23 169.36 9.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 m -94.04 52.01 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.575 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 24.9 t80 -99.78 147.79 25.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.1 t -156.45 169.9 23.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.2 m -157.38 174.85 14.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.708 HD23 ' H ' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -90.54 43.01 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.0 m -163.48 154.77 16.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -80.5 -51.71 8.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.58 -40.13 77.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -49.39 -19.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 tp -92.92 -63.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -41.43 -39.81 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.3 t -80.02 -35.76 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.618 ' CE1' HG21 ' A' ' 32' ' ' VAL . 36.1 t60 -49.32 -57.59 6.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.482 HG23 ' HB2' ' A' ' 33' ' ' HIS . 87.3 mt -66.92 -41.17 87.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -46.1 -21.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -126.46 -64.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.618 HG21 ' CE1' ' A' ' 28' ' ' HIS . 76.1 t -39.7 -59.58 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.482 ' HB2' HG23 ' A' ' 29' ' ' ILE . 56.1 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.818 0.342 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.2 t -47.98 129.05 14.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -76.49 -45.39 31.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -45.33 -59.21 2.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 p -118.1 177.58 4.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.6 p -85.51 42.72 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.401 ' CE1' ' O ' ' A' ' 18' ' ' THR . 18.1 t80 -95.32 146.71 24.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.401 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 79.2 p -126.25 149.22 49.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.0 t -135.42 158.02 45.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.598 HD23 ' H ' ' A' ' 20' ' ' LEU . 1.7 pt? -96.09 -30.4 13.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.6 t -112.49 154.16 26.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -63.06 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.13 -47.13 33.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -52.17 -46.53 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.3 tp -49.59 -62.69 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -39.42 -50.01 2.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 63.1 t -49.45 -50.75 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.615 ' CE1' HG21 ' A' ' 32' ' ' VAL . 13.4 t60 -51.15 -27.9 9.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.407 HG23 ' HB2' ' A' ' 33' ' ' HIS . 20.9 mm -80.97 -41.4 19.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -68.48 -11.11 59.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 31' ' ' ARG . 11.0 mtm105 -109.9 -36.98 5.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.615 HG21 ' CE1' ' A' ' 28' ' ' HIS . 69.2 t -92.94 -66.32 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.407 ' HB2' HG23 ' A' ' 29' ' ' ILE . 15.3 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.805 0.336 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.2 t -48.01 120.56 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -78.92 -45.47 20.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -43.79 -54.94 4.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.7 p -120.93 177.3 5.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.7 m -89.49 45.35 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.5 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 65.6 t80 -89.04 149.95 23.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 19' ' ' CYS . 46.7 m -126.5 154.8 43.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.432 ' N ' HG22 ' A' ' 18' ' ' THR . 30.3 p -150.08 176.32 10.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mp -112.95 -50.15 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 t -72.99 172.89 10.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -85.16 -46.32 11.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.507 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -72.03 -16.71 76.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -55.23 -21.02 12.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.8 tp -83.15 -53.16 5.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 27' ' ' VAL . 45.1 pttt -56.24 -35.12 67.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 23' ' ' GLY . 10.1 p -80.88 -31.29 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 1.156 ' CE1' HG11 ' A' ' 32' ' ' VAL . 64.1 t60 -51.3 -66.66 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.52 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.4 mp -57.3 -26.99 27.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -51.66 -41.28 61.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' VAL . 38.9 mtp180 -125.21 -59.15 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.156 HG11 ' CE1' ' A' ' 28' ' ' HIS . 62.3 t -34.03 -39.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.83 0.347 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.6 t -61.55 121.46 12.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.53 -52.4 8.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -40.94 -47.74 3.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 p -125.27 147.89 48.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -83.43 51.9 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -96.01 142.66 27.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.6 p -131.12 152.27 50.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.86 176.08 12.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.9 mt -96.55 -45.85 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.0 t -68.29 115.84 8.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -16.86 4.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 25' ' ' LEU . . . -85.12 -46.52 5.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 23' ' ' GLY . 2.8 t-80 -37.67 -28.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 23' ' ' GLY . 35.2 tp -76.44 -55.8 5.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -55.53 -34.3 64.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -84.92 -36.01 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.74 ' CE1' HG21 ' A' ' 32' ' ' VAL . 23.4 t60 -52.65 -61.94 1.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.68 HG23 ' HB2' ' A' ' 33' ' ' HIS . 75.8 mt -60.42 -42.16 90.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -38.46 -39.74 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 31' ' ' ARG . 22.8 mtm105 -112.7 -55.48 2.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.74 HG21 ' CE1' ' A' ' 28' ' ' HIS . 88.3 t -41.19 -53.99 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.68 ' HB2' HG23 ' A' ' 29' ' ' ILE . 81.6 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.822 0.344 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.0 t -58.57 146.64 35.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' TYR . 5.3 m-20 -89.01 -52.58 5.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.621 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 90.1 m-85 -36.78 -49.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -130.3 176.61 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.3 m -90.63 48.95 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.441 ' CD2' ' CG ' ' A' ' 28' ' ' HIS . 47.4 t80 -103.33 144.0 31.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.0 t -137.75 163.87 30.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.413 ' C ' HD12 ' A' ' 20' ' ' LEU . 29.4 p -156.88 169.01 25.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.413 HD12 ' C ' ' A' ' 19' ' ' CYS . 10.2 mp -114.89 39.95 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.9 m -162.92 118.63 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 23' ' ' GLY . 13.2 ptpt -45.41 -37.79 5.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' A' ' 22' ' ' LYS . . . -69.77 -44.09 64.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -51.02 -45.22 61.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.811 0.339 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.8 tp -61.66 -46.24 90.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -53.37 -47.04 69.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.838 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.2 t -73.38 -35.9 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.441 ' CG ' ' CD2' ' A' ' 17' ' ' PHE . 6.7 t60 -50.67 -32.48 19.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.891 HG23 ' HB2' ' A' ' 33' ' ' HIS . 23.6 mt -89.55 -52.2 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -49.92 -21.23 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.5 tpt85 -103.15 -35.97 8.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.0 t -91.36 -69.7 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.891 ' HB2' HG23 ' A' ' 29' ' ' ILE . 10.8 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.85 0.357 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.5 t -55.53 139.65 43.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -82.54 -53.02 6.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -45.44 -46.38 13.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.0 p -132.0 167.26 19.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 t -93.2 61.0 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.812 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -99.26 147.59 25.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.2 p -114.15 139.56 49.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.7 p -130.34 162.18 29.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 tp -98.97 -58.66 1.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.4 m -84.32 174.36 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -76.05 -59.88 2.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 26' ' ' LYS . . . -46.37 -49.45 15.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.47 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -39.38 -39.14 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.8 tp -66.49 -40.65 89.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 23' ' ' GLY . 3.7 tppp? -69.68 -53.0 20.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.7 p -65.25 -20.27 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -63.68 -47.87 79.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.827 HG23 ' HB2' ' A' ' 33' ' ' HIS . 53.3 mt -76.7 -31.89 20.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -62.22 -24.47 67.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.82 -48.18 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.52 -68.02 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.827 ' HB2' HG23 ' A' ' 29' ' ' ILE . 29.3 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.838 0.351 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.8 t -50.97 144.13 9.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -89.56 -59.28 2.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.417 ' HB2' ' NE2' ' A' ' 33' ' ' HIS . 82.9 m-85 -40.12 -43.37 1.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 p -133.93 158.81 42.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.3 t -84.95 73.83 10.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 19' ' ' CYS . 44.7 t80 -103.72 120.34 40.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.7 p -110.13 134.9 51.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 1.8 t -155.58 177.35 11.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.481 ' N ' HD12 ' A' ' 20' ' ' LEU . 4.1 mp -122.65 70.27 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.8 t -174.89 140.82 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -77.6 -55.91 4.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.22 -39.78 82.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 25' ' ' LEU . 5.3 m170 -46.88 -53.94 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 24' ' ' HIS . 37.0 tp -37.64 -57.32 0.98 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -54.44 -58.98 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.8 t -46.53 -52.33 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.734 ' CE1' HG21 ' A' ' 32' ' ' VAL . 41.6 t60 -45.42 -67.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.499 HG23 ' HB2' ' A' ' 33' ' ' HIS . 63.1 mt -54.37 -28.01 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -65.44 -32.78 74.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HD3' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -125.41 28.96 6.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.734 HG21 ' CE1' ' A' ' 28' ' ' HIS . 19.3 t -134.77 -41.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.155 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.555 ' CE1' HG12 ' A' ' 32' ' ' VAL . 59.7 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.794 0.331 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.3 t -70.03 141.14 52.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.71 -64.21 1.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.545 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 45.3 m-85 -45.78 -64.05 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 p -105.61 173.0 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 90.9 p -96.14 66.02 2.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.45 ' CE2' ' HB3' ' A' ' 19' ' ' CYS . 12.5 t80 -97.83 134.94 40.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.3 p -111.66 144.86 40.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HB3' ' CE2' ' A' ' 17' ' ' PHE . 28.1 p -145.82 177.16 9.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 tp -102.67 -39.3 7.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.6 p -101.65 156.44 17.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.98 -17.56 30.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.49 -39.56 49.84 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -59.64 -41.3 90.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.89 0.376 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.6 tp -49.13 -48.23 44.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.43 -54.08 36.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.1 t -55.02 -43.82 71.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.826 ' CE1' HG11 ' A' ' 32' ' ' VAL . 85.4 t60 -49.97 -70.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.82 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.6 mt -57.53 -32.68 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -49.14 -40.05 31.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 31' ' ' ARG . 18.0 mtm105 -119.02 -60.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.826 HG11 ' CE1' ' A' ' 28' ' ' HIS . 47.3 t -39.5 -53.38 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.545 ' CE1' ' HB2' ' A' ' 14' ' ' TYR . 95.4 m-70 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.848 0.356 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.0 t -47.1 135.39 9.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -75.95 -54.91 6.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -43.35 -61.77 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.8 p -111.08 -179.17 3.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.0 p -105.99 43.94 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -103.94 145.83 29.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.0 t -153.09 168.28 26.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.142 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -158.9 174.69 14.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.645 HD23 ' H ' ' A' ' 20' ' ' LEU . 1.4 pt? -93.5 42.69 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -155.98 109.84 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -59.21 -51.81 68.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.2 -47.15 50.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.435 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -49.84 -44.69 49.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.6 tp -51.41 -41.08 60.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -53.27 -50.1 65.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.8 t -68.59 -33.82 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.121 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.81 ' O ' HG12 ' A' ' 32' ' ' VAL . 74.8 t60 -53.85 -70.36 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 52.9 mt -60.38 -29.38 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -65.81 -14.71 61.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' HIS . 13.9 mtp-105 -131.21 -63.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.81 HG12 ' O ' ' A' ' 28' ' ' HIS . 6.3 p -42.02 -23.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.609 ' CG ' HG13 ' A' ' 32' ' ' VAL . 27.4 m-70 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.876 0.369 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.3 t -46.99 134.09 10.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -83.62 -49.91 8.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -43.07 -45.39 5.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.4 p -135.66 167.36 21.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 t -83.73 60.65 5.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 19' ' ' CYS . 69.0 t80 -100.64 150.25 22.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.9 p -150.16 133.29 16.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 3.0 t -146.6 175.17 10.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 tp -94.47 -56.45 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.8 t -59.39 106.06 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -45.9 -47.37 16.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.46 -40.75 47.3 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.456 ' HA ' HG12 ' A' ' 27' ' ' VAL . 4.9 t60 -46.61 -26.43 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.4 tp -62.38 -39.08 92.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -69.57 -58.56 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.456 HG12 ' HA ' ' A' ' 24' ' ' HIS . 10.0 p -61.38 -28.64 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.441 ' CE1' ' CG ' ' A' ' 17' ' ' PHE . 49.3 t60 -61.38 -43.77 98.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.7 mt -82.64 -28.39 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -75.97 -15.41 60.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -108.55 -47.46 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.6 t -73.61 -72.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.5 m -120.79 -45.16 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 t -49.76 138.2 14.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.89 -103.07 0.16 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.7 t -89.77 110.93 21.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -97.07 150.21 21.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . 130.93 -79.86 0.35 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 7' ' ' GLY . 13.3 pt-20 34.52 42.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -142.72 139.86 31.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.953 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -85.96 155.23 20.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -134.47 157.91 45.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.062 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.9 t -53.5 140.4 28.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 14' ' ' TYR . 18.4 t0 -87.22 -62.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' ASP . 15.2 m-85 -36.4 -43.97 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.931 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.8 p -129.99 165.8 21.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.3 m -98.5 58.85 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -103.65 133.84 47.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.1 p -106.95 133.39 51.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.134 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.8 p -112.79 177.51 4.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.686 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -109.06 -43.07 4.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 91.6 p -103.92 160.86 14.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -67.22 -47.2 71.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.61 -42.28 84.11 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -49.32 -36.95 22.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.566 ' O ' HD12 ' A' ' 29' ' ' ILE . 31.2 tp -64.4 -38.06 89.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -71.22 -61.07 1.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.1 p -52.4 -18.58 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.571 ' CE1' HG11 ' A' ' 32' ' ' VAL . 77.1 t60 -66.67 -71.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.728 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.6 mp -61.81 -13.07 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -59.81 -51.67 68.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 ptt85 -120.85 -53.23 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.571 HG11 ' CE1' ' A' ' 28' ' ' HIS . 22.7 t -37.5 -34.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -111.38 -64.68 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.3 tttp 43.91 34.34 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -68.21 109.53 3.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.7 mt -96.34 121.34 46.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.0 tptt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.827 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.7 m -107.89 176.9 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.892 0.377 . . . . 0.0 110.827 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 p -170.05 138.35 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.59 -112.58 0.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.529 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.3 p -95.92 42.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.903 0.382 . . . . 0.0 110.893 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 7' ' ' GLY . 23.3 t 55.25 42.3 30.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.796 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.03 42.48 0.36 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -99.53 108.52 20.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.896 0.379 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -103.25 165.72 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -130.48 128.91 42.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -120.64 151.73 39.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.8 t -68.87 122.75 19.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -77.01 -48.84 16.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -40.41 -62.22 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.1 p -120.7 173.31 7.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 m -90.2 59.88 4.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.583 ' CD2' ' ND1' ' A' ' 28' ' ' HIS . 32.8 t80 -103.88 141.03 36.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.8 p -152.36 150.6 29.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.184 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -142.2 173.23 11.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.764 HD22 ' O ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -85.46 0.01 53.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -116.46 156.78 26.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.6 mtmm -83.85 -49.77 8.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.75 -14.55 7.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.524 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -55.61 -37.91 68.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.841 0.353 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.3 tp -63.07 -24.53 67.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -79.45 -60.44 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.1 p -61.61 -13.49 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.583 ' ND1' ' CD2' ' A' ' 17' ' ' PHE . 77.5 t60 -70.82 -70.78 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.492 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.4 mp -61.24 -26.84 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.414 ' O ' ' CD ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -66.56 -24.77 66.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -126.93 -64.22 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.579 HG21 ' ND1' ' A' ' 28' ' ' HIS . 90.6 t -41.74 -68.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -91.6 95.19 9.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -125.01 78.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -148.7 143.3 26.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.547 HD13 ' H ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -82.53 143.76 11.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.15 179.848 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.856 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m -84.13 166.07 17.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.383 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 t -103.25 158.84 16.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.825 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.96 -106.21 0.28 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 m -45.93 122.29 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.851 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -157.24 118.14 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.5 40.57 97.92 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.544 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -108.07 82.35 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.912 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -108.8 39.79 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -124.0 101.83 7.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -136.19 151.59 49.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -55.94 134.28 52.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -82.88 -47.07 12.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -52.96 -44.92 67.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.974 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.6 p -131.29 175.28 9.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 t -93.96 53.8 1.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 19' ' ' CYS . 7.4 t80 -91.99 125.29 36.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.5 p -114.18 138.76 50.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.109 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 2.9 t -148.07 169.43 19.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 tp -117.03 46.99 1.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.0 m -147.08 154.63 41.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -84.41 -42.14 15.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.32 -39.98 14.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -52.16 -18.26 1.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.61 ' O ' HD12 ' A' ' 25' ' ' LEU . 8.5 tp -85.97 -28.08 24.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.47 -35.39 27.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.9 p -79.4 -24.7 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -58.03 -47.0 84.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.637 HG23 ' HB2' ' A' ' 33' ' ' HIS . 4.5 mp -83.92 -34.79 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -60.2 -11.29 5.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.4 mmm-85 -123.86 -60.98 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.6 t -54.58 -74.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.637 ' HB2' HG23 ' A' ' 29' ' ' ILE . 24.0 m-70 -87.3 74.52 9.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -116.06 139.13 50.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -109.0 80.24 1.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.067 HD13 ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -71.76 147.3 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 1.067 ' N ' HD13 ' A' ' 36' ' ' ILE . 24.5 pttt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 t -90.92 135.29 33.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 110.883 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -58.67 138.05 57.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.34 -162.06 1.6 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.54 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.6 p -90.15 -23.63 21.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -74.04 -43.28 58.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.17 -136.26 13.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -164.83 134.46 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -123.61 171.49 9.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -134.92 127.1 29.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -115.89 118.05 31.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.8 t -47.38 143.36 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -85.86 -60.34 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.479 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 30.6 m-85 -41.38 -57.84 2.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 p -115.37 172.81 6.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.4 t -87.66 46.15 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -97.31 126.2 42.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.9 m -113.04 151.5 30.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.9 t -158.72 151.58 22.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.1 mt -85.91 -54.98 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.8 t -63.77 140.14 58.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -54.92 10.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.15 -39.81 42.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.486 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -52.87 -55.92 19.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.3 tp -55.99 -47.86 76.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -52.27 -58.96 5.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.7 t -58.05 -39.86 74.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -51.76 -54.9 23.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.615 HG23 ' HB2' ' A' ' 33' ' ' HIS . 17.5 mt -74.61 -35.16 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -64.29 -11.1 28.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -122.58 -61.16 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.2 t -55.59 -63.29 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.615 ' HB2' HG23 ' A' ' 29' ' ' ILE . 99.0 m-70 -81.6 77.56 8.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -121.97 84.77 2.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.19 166.32 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.5 tt -107.84 148.68 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' C ' ' HD3' ' A' ' 37' ' ' LYS . 4.0 tmtm? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.7 p -64.6 140.18 58.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.807 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -84.26 -46.26 12.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.87 -137.81 16.59 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 m -132.51 170.59 14.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -113.71 -59.26 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.01 -126.02 3.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -149.52 121.06 7.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.949 0.404 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.459 ' HG2' ' N ' ' A' ' 10' ' ' PHE . 27.9 ttmt -134.64 155.11 51.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.459 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 76.7 m-85 -107.83 103.47 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -104.13 123.55 47.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.3 t -55.31 123.4 13.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.95 -43.92 28.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -40.04 -47.15 2.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.2 p -129.26 168.83 15.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.8 t -88.13 40.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -86.76 137.56 32.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.7 p -122.19 136.47 54.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.2 p -145.28 153.41 41.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.656 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.8 pp -114.27 42.96 1.97 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -163.26 117.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -43.56 -56.4 3.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -46.78 -51.3 13.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.541 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -45.77 -45.07 14.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.9 tp -61.45 -44.81 96.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -58.02 -53.61 56.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.3 p -65.65 -30.16 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.745 ' ND1' HG21 ' A' ' 32' ' ' VAL . 40.5 t60 -59.67 -61.02 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.477 HG23 ' HB2' ' A' ' 33' ' ' HIS . 60.0 mt -63.33 -30.94 51.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -49.25 -36.96 21.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -117.61 -54.17 2.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.745 HG21 ' ND1' ' A' ' 28' ' ' HIS . 91.3 t -42.62 -43.33 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.677 ' CE1' HG12 ' A' ' 32' ' ' VAL . 52.6 m-70 -134.6 74.89 1.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -56.7 155.27 7.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -67.14 142.14 57.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.448 HG23 ' N ' ' A' ' 37' ' ' LYS . 7.1 tt -56.14 -42.23 72.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.448 ' N ' HG23 ' A' ' 36' ' ' ILE . 21.0 mttp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -76.07 -55.01 5.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.849 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -89.33 42.54 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.9 108.64 0.42 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 6' ' ' SER . 88.5 p -141.44 176.86 8.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.859 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 5' ' ' SER . 46.1 t 36.65 40.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.0 166.75 0.4 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -134.0 86.05 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 110.936 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.34 141.36 28.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -109.13 104.54 13.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -115.25 150.38 36.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.8 t -57.93 135.54 56.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -77.23 -56.69 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.538 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 29.7 m-85 -40.7 -59.35 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.2 p -110.11 157.03 19.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.0 t -81.83 44.89 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -93.05 136.96 32.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.5 m -105.89 149.03 26.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.1 t -146.62 166.67 25.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -114.46 -45.47 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.1 p -95.86 156.64 16.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -74.7 -47.22 32.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -42.46 -59.21 3.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -49.24 -47.76 46.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.836 0.35 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.3 tp -56.54 -28.22 59.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -74.95 -59.48 2.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.75 -18.52 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.927 ' CE1' HG11 ' A' ' 32' ' ' VAL . 34.1 t60 -65.12 -64.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.729 HG23 ' HB2' ' A' ' 33' ' ' HIS . 97.1 mt -59.88 -41.8 87.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -40.02 -30.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.7 mtt-85 -123.47 -62.36 1.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.927 HG11 ' CE1' ' A' ' 28' ' ' HIS . 96.1 t -38.4 -47.24 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.729 ' HB2' HG23 ' A' ' 29' ' ' ILE . 94.3 m-70 -115.7 89.73 3.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -108.49 40.41 1.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' ILE . 71.5 mttt -69.04 -41.6 77.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.599 ' O ' HD12 ' A' ' 36' ' ' ILE . 2.5 pp -34.47 135.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.855 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.2 m -122.05 89.02 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -158.58 167.43 29.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.851 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.45 -140.57 6.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.1 p -98.28 132.25 43.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.901 0.381 . . . . 0.0 110.875 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 m -109.63 101.03 9.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.98 -179.18 3.2 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.6 135.78 52.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -127.86 84.97 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -91.77 127.81 37.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -108.76 141.48 40.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.078 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -56.14 125.9 23.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 14' ' ' TYR . 0.9 OUTLIER -71.44 -69.51 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.542 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 46.3 m-85 -34.5 -52.01 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 p -123.6 139.23 54.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.1 m -72.54 66.63 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.424 ' CE2' ' O ' ' A' ' 18' ' ' THR . 65.3 t80 -102.13 144.63 30.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.424 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 73.4 p -106.47 144.08 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.6 p -134.31 155.5 50.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mp -105.92 -57.13 2.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 24' ' ' HIS . 17.6 m -88.93 110.08 20.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 23' ' ' GLY . 1.2 pptp? -36.57 -34.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.458 ' N ' ' HD2' ' A' ' 22' ' ' LYS . . . -67.28 -44.4 85.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.518 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 21' ' ' SER . 18.7 t60 -50.62 -53.03 34.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 110.842 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.3 tp -36.9 -53.32 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -46.18 -46.7 17.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 86.0 t -59.35 -46.24 92.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.52 ' CE1' HG11 ' A' ' 32' ' ' VAL . 81.5 t60 -44.59 -64.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.457 HG23 ' HB2' ' A' ' 33' ' ' HIS . 86.8 mt -63.21 -44.12 99.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.1 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -42.51 -23.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 29' ' ' ILE . 44.2 mtp85 -130.02 -65.87 0.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.52 HG11 ' CE1' ' A' ' 28' ' ' HIS . 57.6 t -40.44 -52.04 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.542 ' CE1' ' HB2' ' A' ' 14' ' ' TYR . 82.8 m-70 -112.38 87.55 2.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.1 tptt -104.25 137.63 41.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -163.73 154.32 15.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.9 mp -70.66 137.18 24.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 179.83 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 m -122.89 107.78 12.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 110.844 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.4 m -152.7 163.85 38.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.44 -178.27 27.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 t 59.85 42.51 16.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.911 0.386 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 m -100.87 -55.9 2.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.93 171.05 12.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -82.24 112.65 19.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.934 0.397 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -74.45 177.06 6.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -135.56 121.03 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -120.38 139.77 52.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.1 t -48.26 135.64 13.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -82.89 -54.77 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.585 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 79.6 m-85 -44.96 -46.99 11.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.5 p -125.13 173.04 9.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -88.82 43.61 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 6.7 t80 -93.16 135.5 34.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.401 HG22 ' N ' ' A' ' 19' ' ' CYS . 33.9 m -142.7 153.63 43.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.199 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.401 ' N ' HG22 ' A' ' 18' ' ' THR . 2.0 m -149.99 162.03 41.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.541 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -64.88 -47.3 78.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.1 p -88.04 139.73 30.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -82.5 -49.71 9.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -43.08 -41.96 4.98 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -57.95 -49.65 76.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.4 tp -41.84 -31.29 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -58.26 -55.34 36.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.1 t -54.56 -38.48 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.124 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.486 ' O ' HG23 ' A' ' 32' ' ' VAL . 73.7 t60 -54.24 -70.06 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.616 HG23 ' HB2' ' A' ' 33' ' ' HIS . 68.3 mt -59.34 -40.09 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -38.62 -41.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -115.54 -52.67 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 28' ' ' HIS . 84.3 t -46.61 -56.49 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.616 ' HB2' HG23 ' A' ' 29' ' ' ILE . 96.7 m-70 -110.72 83.69 1.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -125.67 -56.18 1.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -91.98 139.34 30.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.6 mt -96.25 131.79 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 1' ' ' GLY . 41.8 t -36.85 -44.46 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.38 . . . . 0.0 110.86 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -129.92 125.56 35.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.42 127.37 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.9 m -134.03 93.31 3.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.872 0.368 . . . . 0.0 110.85 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 m -86.02 -42.78 13.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.34 -167.56 39.97 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 9' ' ' LYS . 24.2 pt-20 -82.12 43.09 0.77 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.934 0.397 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 8' ' ' GLU . 3.0 mmpt? 37.37 44.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -85.97 99.95 11.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -114.68 159.95 19.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.103 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.0 t -65.16 133.8 52.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 14' ' ' TYR . 1.1 m-20 -75.79 -56.28 4.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 13' ' ' ASP . 69.9 m-85 -35.13 -60.31 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.96 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 p -117.79 160.26 21.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -85.58 53.07 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -103.78 135.03 46.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.6 p -104.8 151.81 23.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.5 t -138.93 152.5 47.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 20' ' ' LEU . 2.9 mm? -84.4 -56.71 3.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.7 m -90.97 138.5 31.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -64.45 -53.48 47.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -42.42 -39.75 3.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -60.02 -50.58 73.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 110.794 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.1 tp -45.55 -43.87 12.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -52.07 -42.14 62.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.5 t -78.68 -41.86 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.524 ' O ' HG23 ' A' ' 32' ' ' VAL . 23.8 t60 -43.04 -45.55 5.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.51 HG23 ' HB2' ' A' ' 33' ' ' HIS . 28.6 mt -80.9 -37.95 16.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -58.89 -11.28 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -120.28 -58.84 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 28' ' ' HIS . 49.1 t -58.84 -64.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.51 ' HB2' HG23 ' A' ' 29' ' ' ILE . 6.2 m-70 -101.95 85.85 2.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -79.3 48.18 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt 53.42 40.61 31.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.6 tp -63.32 140.54 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.108 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.856 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 p -94.81 169.71 9.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.839 0.352 . . . . 0.0 110.883 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -91.21 142.39 27.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.803 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.41 51.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.451 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.0 p -75.3 -51.96 11.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 p -110.8 78.2 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.809 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.72 -116.2 2.36 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.442 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 56.91 54.59 6.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.08 130.95 54.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -92.5 125.78 37.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -121.55 140.97 51.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.078 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.6 t -53.09 124.54 14.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -81.93 -44.36 16.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.428 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 96.2 m-85 -47.61 -44.62 26.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.5 p -129.86 177.96 6.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.8 t -94.28 43.62 1.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.424 ' CE2' ' HB2' ' A' ' 19' ' ' CYS . 78.2 t80 -86.3 152.77 22.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.4 p -139.58 143.95 37.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.424 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 1.8 t -158.06 158.06 34.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.8 mp -87.54 -62.7 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.472 ' HB3' ' CG ' ' A' ' 24' ' ' HIS . 1.5 t -47.4 150.97 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -85.55 -55.78 3.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.71 -33.79 55.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.508 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.472 ' CG ' ' HB3' ' A' ' 21' ' ' SER . 10.5 m170 -48.93 -45.8 42.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 110.828 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.0 tp -44.67 -23.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 tptp -83.08 -58.01 3.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.418 ' HA ' ' CD ' ' A' ' 30' ' ' GLU . 4.2 p -56.47 -13.17 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.768 ' CE1' HG21 ' A' ' 32' ' ' VAL . 17.9 t60 -80.02 -59.22 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.891 HG23 ' HB2' ' A' ' 33' ' ' HIS . 80.8 mt -66.21 -38.46 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' CD ' ' HA ' ' A' ' 27' ' ' VAL . 13.9 pt-20 -50.92 -18.98 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -123.71 -61.98 1.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.768 HG21 ' CE1' ' A' ' 28' ' ' HIS . 72.1 t -46.88 -55.13 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.891 ' HB2' HG23 ' A' ' 29' ' ' ILE . 73.3 m-70 -102.83 84.65 2.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -54.59 164.4 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.53 -44.36 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 37' ' ' LYS . 36.5 pt -57.16 -37.96 58.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.459 ' N ' HG13 ' A' ' 36' ' ' ILE . 44.9 mttt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -47.72 -61.1 2.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 t -119.0 144.15 46.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.32 -172.78 0.1 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.5 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.0 p -91.7 43.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.864 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p -63.79 -45.08 91.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.47 -126.53 2.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -136.13 156.78 48.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.41 143.12 31.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -139.82 111.38 7.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -121.04 151.03 40.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 34.7 t -56.19 151.8 11.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.49 -62.36 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -42.02 -57.01 2.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.9 p -115.23 169.36 9.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 m -94.04 52.01 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.575 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 24.9 t80 -99.78 147.79 25.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.1 t -156.45 169.9 23.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.2 m -157.38 174.85 14.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.708 HD23 ' H ' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -90.54 43.01 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.0 m -163.48 154.77 16.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -80.5 -51.71 8.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.58 -40.13 77.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -49.39 -19.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 tp -92.92 -63.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.8 pttp -41.43 -39.81 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.3 t -80.02 -35.76 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.618 ' CE1' HG21 ' A' ' 32' ' ' VAL . 36.1 t60 -49.32 -57.59 6.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.482 HG23 ' HB2' ' A' ' 33' ' ' HIS . 87.3 mt -66.92 -41.17 87.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -46.1 -21.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -126.46 -64.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.618 HG21 ' CE1' ' A' ' 28' ' ' HIS . 76.1 t -39.7 -59.58 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.482 ' HB2' HG23 ' A' ' 29' ' ' ILE . 56.1 m-70 -112.08 103.75 11.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -103.79 176.61 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -134.32 127.01 30.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.9 pt -89.24 40.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.839 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 p -135.37 118.95 16.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.921 0.391 . . . . 0.0 110.795 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p -114.54 80.75 1.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.82 145.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.463 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -101.52 81.34 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.0 m -162.06 136.31 6.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.4 -146.82 17.24 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.548 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -101.85 86.23 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.387 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -144.56 172.72 12.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -131.41 131.85 43.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -132.07 144.83 51.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.076 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.2 t -47.98 129.05 14.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -76.49 -45.39 31.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -45.33 -59.21 2.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 p -118.1 177.58 4.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.6 p -85.51 42.72 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.401 ' CE1' ' O ' ' A' ' 18' ' ' THR . 18.1 t80 -95.32 146.71 24.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.401 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 79.2 p -126.25 149.22 49.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.0 t -135.42 158.02 45.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.598 HD23 ' H ' ' A' ' 20' ' ' LEU . 1.7 pt? -96.09 -30.4 13.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.6 t -112.49 154.16 26.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -63.06 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.13 -47.13 33.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -52.17 -46.53 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.3 tp -49.59 -62.69 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -39.42 -50.01 2.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 63.1 t -49.45 -50.75 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.615 ' CE1' HG21 ' A' ' 32' ' ' VAL . 13.4 t60 -51.15 -27.9 9.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.407 HG23 ' HB2' ' A' ' 33' ' ' HIS . 20.9 mm -80.97 -41.4 19.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -68.48 -11.11 59.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 31' ' ' ARG . 11.0 mtm105 -109.9 -36.98 5.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.615 HG21 ' CE1' ' A' ' 28' ' ' HIS . 69.2 t -92.94 -66.32 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.407 ' HB2' HG23 ' A' ' 29' ' ' ILE . 15.3 m-70 -98.16 88.16 4.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -91.03 102.58 15.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -76.2 -55.15 5.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.894 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.1 tt -57.49 126.04 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.854 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -47.26 169.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.857 0.36 . . . . 0.0 110.886 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -129.02 41.75 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.46 109.62 3.38 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 t -63.99 104.15 0.68 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.897 0.38 . . . . 0.0 110.864 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -79.34 135.98 36.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.43 -142.91 4.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -112.75 83.94 1.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.863 0.363 . . . . 0.0 110.838 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -174.39 171.9 3.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -133.79 139.93 46.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.17 142.59 27.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.2 t -48.01 120.56 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -78.92 -45.47 20.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -43.79 -54.94 4.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.7 p -120.93 177.3 5.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.7 m -89.49 45.35 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.5 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 65.6 t80 -89.04 149.95 23.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 19' ' ' CYS . 46.7 m -126.5 154.8 43.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.432 ' N ' HG22 ' A' ' 18' ' ' THR . 30.3 p -150.08 176.32 10.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mp -112.95 -50.15 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 t -72.99 172.89 10.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -85.16 -46.32 11.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.507 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -72.03 -16.71 76.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -55.23 -21.02 12.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.8 tp -83.15 -53.16 5.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 27' ' ' VAL . 45.1 pttt -56.24 -35.12 67.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 23' ' ' GLY . 10.1 p -80.88 -31.29 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 1.156 ' CE1' HG11 ' A' ' 32' ' ' VAL . 64.1 t60 -51.3 -66.66 0.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.52 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.4 mp -57.3 -26.99 27.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -51.66 -41.28 61.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' VAL . 38.9 mtp180 -125.21 -59.15 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.156 HG11 ' CE1' ' A' ' 28' ' ' HIS . 62.3 t -34.03 -39.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -98.21 -74.23 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -150.96 140.83 21.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -105.14 88.37 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.433 HD13 ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -38.92 133.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.843 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 t -114.46 86.12 2.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 110.827 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 p -112.74 131.33 55.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.59 -123.15 6.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -145.53 107.83 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 0.0 110.848 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.6 p -87.75 41.55 1.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.34 -175.47 46.13 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -86.2 89.01 7.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.919 0.39 . . . . 0.0 110.902 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.97 87.48 2.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.963 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -96.98 138.35 34.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -137.78 155.05 49.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.6 t -61.55 121.46 12.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.53 -52.4 8.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -40.94 -47.74 3.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 p -125.27 147.89 48.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 t -83.43 51.9 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -96.01 142.66 27.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.6 p -131.12 152.27 50.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.86 176.08 12.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.9 mt -96.55 -45.85 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.0 t -68.29 115.84 8.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -16.86 4.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 25' ' ' LEU . . . -85.12 -46.52 5.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 23' ' ' GLY . 2.8 t-80 -37.67 -28.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 23' ' ' GLY . 35.2 tp -76.44 -55.8 5.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -55.53 -34.3 64.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -84.92 -36.01 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.74 ' CE1' HG21 ' A' ' 32' ' ' VAL . 23.4 t60 -52.65 -61.94 1.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.68 HG23 ' HB2' ' A' ' 33' ' ' HIS . 75.8 mt -60.42 -42.16 90.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -38.46 -39.74 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 31' ' ' ARG . 22.8 mtm105 -112.7 -55.48 2.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.74 HG21 ' CE1' ' A' ' 28' ' ' HIS . 88.3 t -41.19 -53.99 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.68 ' HB2' HG23 ' A' ' 29' ' ' ILE . 81.6 m-70 -115.71 78.94 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -63.67 139.38 58.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -96.76 -52.57 3.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.882 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.461 ' N ' ' HD2' ' A' ' 35' ' ' LYS . 7.0 tp -74.1 136.31 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.887 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 3' ' ' SER . 4.7 t -134.9 84.08 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.351 . . . . 0.0 110.845 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 2' ' ' SER . 5.1 t 35.36 42.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.11 -110.07 2.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.7 p -132.55 167.95 19.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.3 p -92.42 41.12 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.08 165.13 37.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -112.14 40.88 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.915 0.388 . . . . 0.0 110.909 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -84.3 119.53 25.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -94.99 108.48 20.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -106.78 144.24 33.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.0 t -58.57 146.64 35.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' TYR . 5.3 m-20 -89.01 -52.58 5.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.621 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 90.1 m-85 -36.78 -49.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -130.3 176.61 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.3 m -90.63 48.95 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.441 ' CD2' ' CG ' ' A' ' 28' ' ' HIS . 47.4 t80 -103.33 144.0 31.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.0 t -137.75 163.87 30.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.413 ' C ' HD12 ' A' ' 20' ' ' LEU . 29.4 p -156.88 169.01 25.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.413 HD12 ' C ' ' A' ' 19' ' ' CYS . 10.2 mp -114.89 39.95 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.9 m -162.92 118.63 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 23' ' ' GLY . 13.2 ptpt -45.41 -37.79 5.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' A' ' 22' ' ' LYS . . . -69.77 -44.09 64.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -51.02 -45.22 61.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.811 0.339 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.8 tp -61.66 -46.24 90.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -53.37 -47.04 69.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.838 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.2 t -73.38 -35.9 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.441 ' CG ' ' CD2' ' A' ' 17' ' ' PHE . 6.7 t60 -50.67 -32.48 19.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.891 HG23 ' HB2' ' A' ' 33' ' ' HIS . 23.6 mt -89.55 -52.2 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -49.92 -21.23 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.5 tpt85 -103.15 -35.97 8.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.0 t -91.36 -69.7 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.891 ' HB2' HG23 ' A' ' 29' ' ' ILE . 10.8 m-70 -91.15 73.9 6.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -115.09 -43.68 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' LYS . 29.7 ttpt -37.7 -46.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.5 tt -89.84 132.16 35.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.2 tttp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.922 179.838 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 m -56.64 -43.86 80.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.921 0.391 . . . . 0.0 110.849 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 m -44.05 127.75 5.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.09 48.97 0.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.1 m -138.09 176.87 8.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 110.885 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.8 m -48.71 166.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.23 91.45 0.63 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -95.83 48.87 1.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.926 0.393 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.7 mmtt -140.12 121.88 15.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -87.43 120.58 28.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -118.54 154.66 32.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.5 t -55.53 139.65 43.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -82.54 -53.02 6.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -45.44 -46.38 13.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.0 p -132.0 167.26 19.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 t -93.2 61.0 3.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.812 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -99.26 147.59 25.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.2 p -114.15 139.56 49.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.7 p -130.34 162.18 29.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 tp -98.97 -58.66 1.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.4 m -84.32 174.36 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -76.05 -59.88 2.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 26' ' ' LYS . . . -46.37 -49.45 15.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.47 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -39.38 -39.14 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.8 tp -66.49 -40.65 89.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 23' ' ' GLY . 3.7 tppp? -69.68 -53.0 20.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.7 p -65.25 -20.27 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -63.68 -47.87 79.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.827 HG23 ' HB2' ' A' ' 33' ' ' HIS . 53.3 mt -76.7 -31.89 20.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -62.22 -24.47 67.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.82 -48.18 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.52 -68.02 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.827 ' HB2' HG23 ' A' ' 29' ' ' ILE . 29.3 m-70 -98.69 69.46 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? -80.92 141.88 34.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -52.13 109.28 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.594 HD12 ' N ' ' A' ' 37' ' ' LYS . 2.6 pp -89.77 -35.4 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.594 ' N ' HD12 ' A' ' 36' ' ' ILE . 61.9 mmtt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -71.11 -45.21 64.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.903 0.383 . . . . 0.0 110.881 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 m 57.61 42.07 24.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.96 -53.49 4.67 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -73.04 86.94 1.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.835 0.35 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 t -76.8 -49.49 15.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.83 149.55 15.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.524 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -45.46 104.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 110.873 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -146.3 158.03 43.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -133.15 118.98 19.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.03 141.18 38.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 32.8 t -50.97 144.13 9.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -89.56 -59.28 2.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.417 ' HB2' ' NE2' ' A' ' 33' ' ' HIS . 82.9 m-85 -40.12 -43.37 1.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.3 p -133.93 158.81 42.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.3 t -84.95 73.83 10.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 19' ' ' CYS . 44.7 t80 -103.72 120.34 40.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.7 p -110.13 134.9 51.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 1.8 t -155.58 177.35 11.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.481 ' N ' HD12 ' A' ' 20' ' ' LEU . 4.1 mp -122.65 70.27 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.8 t -174.89 140.82 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -77.6 -55.91 4.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.22 -39.78 82.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 25' ' ' LEU . 5.3 m170 -46.88 -53.94 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 24' ' ' HIS . 37.0 tp -37.64 -57.32 0.98 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -54.44 -58.98 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.8 t -46.53 -52.33 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.734 ' CE1' HG21 ' A' ' 32' ' ' VAL . 41.6 t60 -45.42 -67.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.56 HG22 ' HD3' ' A' ' 34' ' ' LYS . 63.1 mt -54.37 -28.01 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -65.44 -32.78 74.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HD3' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -125.41 28.96 6.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.734 HG21 ' CE1' ' A' ' 28' ' ' HIS . 19.3 t -134.77 -41.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.155 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.555 ' CE1' HG12 ' A' ' 32' ' ' VAL . 59.7 m-70 -123.94 -59.13 1.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.56 ' HD3' HG22 ' A' ' 29' ' ' ILE . 19.2 mtpp -79.96 43.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -102.95 -62.43 1.28 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.934 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.465 HG13 ' N ' ' A' ' 37' ' ' LYS . 4.1 tp -60.44 146.56 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.465 ' N ' HG13 ' A' ' 36' ' ' ILE . 21.6 tptp . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -60.54 -57.01 14.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.903 0.382 . . . . 0.0 110.867 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.1 p -109.52 171.88 7.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.5 -158.97 9.95 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.0 p -102.43 -44.87 5.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.87 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.8 p -57.36 115.36 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.88 -144.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 46.79 51.17 12.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.927 0.394 . . . . 0.0 110.904 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -61.29 157.71 15.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.409 ' CZ ' ' HE3' ' A' ' 22' ' ' LYS . 29.2 m-85 -87.09 104.82 16.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -135.61 155.35 50.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.3 t -70.03 141.14 52.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.71 -64.21 1.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.545 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 45.3 m-85 -45.78 -64.05 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 p -105.61 173.0 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 90.9 p -96.14 66.02 2.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.45 ' CE2' ' HB3' ' A' ' 19' ' ' CYS . 12.5 t80 -97.83 134.94 40.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.3 p -111.66 144.86 40.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HB3' ' CE2' ' A' ' 17' ' ' PHE . 28.1 p -145.82 177.16 9.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 tp -102.67 -39.3 7.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.6 p -101.65 156.44 17.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' HE3' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -87.98 -17.56 30.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.49 -39.56 49.84 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -59.64 -41.3 90.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.89 0.376 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.6 tp -49.13 -48.23 44.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.43 -54.08 36.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.1 t -55.02 -43.82 71.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.826 ' CE1' HG11 ' A' ' 32' ' ' VAL . 85.4 t60 -49.97 -70.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.82 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.6 mt -57.53 -32.68 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -49.14 -40.05 31.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 31' ' ' ARG . 18.0 mtm105 -119.02 -60.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.826 HG11 ' CE1' ' A' ' 28' ' ' HIS . 47.3 t -39.5 -53.38 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.545 ' CE1' ' HB2' ' A' ' 14' ' ' TYR . 95.4 m-70 -106.77 81.22 1.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -95.0 133.63 38.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -63.05 122.91 17.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.1 mm -109.1 146.02 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.9 tptm . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.887 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.1 m -79.42 149.78 31.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.896 0.379 . . . . 0.0 110.862 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.7 m -40.52 -50.25 2.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.42 112.26 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -96.41 42.61 1.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.873 0.368 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 m -118.96 100.88 7.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.12 92.07 0.51 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.417 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -129.57 43.07 3.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.32 144.87 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -102.71 105.11 15.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -112.77 154.83 25.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.0 t -47.1 135.39 9.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -75.95 -54.91 6.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -43.35 -61.77 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.8 p -111.08 -179.17 3.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.0 p -105.99 43.94 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -103.94 145.83 29.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.0 t -153.09 168.28 26.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.142 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -158.9 174.69 14.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.645 HD23 ' H ' ' A' ' 20' ' ' LEU . 1.4 pt? -93.5 42.69 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -155.98 109.84 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -59.21 -51.81 68.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.2 -47.15 50.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.435 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -49.84 -44.69 49.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.6 tp -51.41 -41.08 60.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.9 tttt -53.27 -50.1 65.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.8 t -68.59 -33.82 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.121 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.81 ' O ' HG12 ' A' ' 32' ' ' VAL . 74.8 t60 -53.85 -70.36 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 52.9 mt -60.38 -29.38 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -65.81 -14.71 61.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' HIS . 13.9 mtp-105 -131.21 -63.54 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.81 HG12 ' O ' ' A' ' 28' ' ' HIS . 6.3 p -42.02 -23.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.609 ' CG ' HG13 ' A' ' 32' ' ' VAL . 27.4 m-70 -132.47 80.59 1.91 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -127.17 125.78 41.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -96.79 37.7 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.4 mt -116.45 98.33 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.9 mttp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.867 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -91.35 84.02 5.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.376 . . . . 0.0 110.837 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -132.46 173.76 10.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.69 97.57 0.17 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.5 p -123.57 -36.8 2.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.352 . . . . 0.0 110.869 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 m -88.2 52.73 2.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.15 -44.13 98.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -77.11 92.36 3.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 ttpp -163.69 129.91 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -123.72 116.91 23.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.0 133.11 31.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.093 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.3 t -46.99 134.09 10.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -83.62 -49.91 8.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -43.07 -45.39 5.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.4 p -135.66 167.36 21.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 t -83.73 60.65 5.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 19' ' ' CYS . 69.0 t80 -100.64 150.25 22.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.9 p -150.16 133.29 16.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 3.0 t -146.6 175.17 10.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 tp -94.47 -56.45 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.8 t -59.39 106.06 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -45.9 -47.37 16.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.933 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.46 -40.75 47.3 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.456 ' HA ' HG12 ' A' ' 27' ' ' VAL . 4.9 t60 -46.61 -26.43 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.4 tp -62.38 -39.08 92.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -69.57 -58.56 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.456 HG12 ' HA ' ' A' ' 24' ' ' HIS . 10.0 p -61.38 -28.64 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.441 ' CE1' ' CG ' ' A' ' 17' ' ' PHE . 49.3 t60 -61.38 -43.77 98.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.7 mt -82.64 -28.39 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -75.97 -15.41 60.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -108.55 -47.46 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.6 t -73.61 -72.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -91.7 75.98 5.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -82.1 150.25 27.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -74.26 173.43 10.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.3 mp -115.73 135.69 55.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.147 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.9 tptt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.821 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_