data_6px7_residue ############################ # Computer software used # ############################ 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 6px7 _Structure_validation_residue.Date_analyzed 2020-01-17 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 ' 6' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.875 0.369 . . . . 74.41 110.842 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.72 -53.28 4.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.859 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.14 103.92 1.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.925 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -81.79 -172.89 4.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 74.25 110.897 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.6 mm -61.44 121.1 8.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.425 . . . . 74.34 111.122 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.0 2.34 42.18 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.786 -0.721 . . . . 65.52 112.473 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -90.29 175.13 7.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.88 0.372 . . . . 72.23 110.873 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -103.28 142.34 34.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.809 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.41 145.78 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 62.34 110.894 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -88.35 -33.15 18.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 75.04 110.944 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.9 m -134.59 175.89 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 72.1 111.195 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -42.77 76.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 73.31 111.088 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.94 -33.81 62.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 72.23 110.858 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -61.95 -31.83 72.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 72.44 110.874 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.62 127.19 36.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 71.21 110.92 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.72 -29.33 68.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 75.32 110.888 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.1 t -83.88 -16.44 44.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 73.3 110.885 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt 64.54 46.41 3.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 73.44 110.92 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.86 32.64 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 72.42 110.849 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.0 151.08 23.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 61.02 110.847 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.64 151.21 52.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 74.4 110.92 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -67.11 -29.96 69.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 74.42 110.9 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -86.6 -50.51 6.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 72.11 110.921 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.21 -40.74 82.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 73.2 111.103 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.51 10.25 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 72.34 111.066 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.57 139.99 33.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 62.44 110.844 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.97 113.6 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 65.14 110.869 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.01 133.1 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 71.52 111.187 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.838 -179.798 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.82 0.343 . . . . 74.41 110.939 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.7 -53.26 4.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 74.31 110.896 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.1 103.86 1.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 75.25 110.913 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -81.73 -172.96 4.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 74.25 110.92 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.8 mm -61.47 120.99 8.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 74.34 111.15 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.23 2.25 41.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 65.52 112.5 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -90.28 175.11 7.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.761 0.315 . . . . 72.23 110.927 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -103.22 142.32 34.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 71.44 110.888 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.38 145.77 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 62.34 110.898 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -88.33 -33.21 18.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 75.04 110.884 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 m -134.58 175.91 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 72.1 111.109 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.83 -42.89 76.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 73.31 111.069 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -54.85 -33.89 62.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 72.23 110.853 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.79 -31.91 72.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 72.44 110.908 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.65 127.28 36.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 71.21 110.804 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -29.28 68.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 75.32 110.785 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.8 t -83.98 -16.44 44.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 73.3 110.861 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt 64.55 46.3 3.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 73.44 110.943 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -129.75 32.68 4.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 72.42 110.89 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.01 151.07 23.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 61.02 110.903 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.67 151.22 52.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 74.4 110.908 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -67.11 -30.0 69.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.925 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.51 -50.51 6.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 72.11 110.978 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.18 -40.77 82.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 73.2 111.104 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.48 10.28 3.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 72.34 111.047 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.56 140.05 33.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.42 . . . . 62.44 110.89 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.94 113.64 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 65.14 110.9 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.11 133.16 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 71.52 111.167 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 75.31 110.866 -179.88 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.6 pm0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.919 0.39 . . . . 74.41 110.861 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.61 -53.33 4.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.955 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.05 103.92 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 75.25 110.931 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -81.89 -172.94 4.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 74.25 110.927 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.6 mm -61.36 121.06 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 74.34 111.09 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.08 2.3 41.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 65.52 112.504 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -90.28 174.97 7.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 72.23 110.878 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -103.17 142.33 34.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.815 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.42 145.75 4.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 62.34 110.857 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -88.27 -33.29 18.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 75.04 110.983 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.6 m -134.49 175.91 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 72.1 111.119 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.86 -42.81 76.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 73.31 111.112 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -33.88 62.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.853 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.83 -31.83 72.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 72.44 110.971 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.68 127.17 36.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 71.21 110.876 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.67 -29.38 68.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 75.32 110.912 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.2 t -83.85 -16.53 44.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 73.3 110.816 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt 64.58 46.38 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.906 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -129.84 32.74 4.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 72.42 110.841 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.02 151.02 23.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 61.02 110.921 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.65 151.18 52.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.4 110.868 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -67.17 -29.95 69.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 74.42 110.848 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -86.53 -50.52 6.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.933 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.23 -40.79 81.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 73.2 111.125 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.47 10.29 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 72.34 111.141 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.56 140.04 33.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 62.44 110.906 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.9 113.63 1.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 65.14 110.903 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.04 133.12 64.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 71.52 111.101 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 75.31 110.908 -179.888 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.83 0.348 . . . . 74.41 110.867 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.58 -53.38 4.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.925 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.04 103.95 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 75.25 110.945 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -81.83 -172.86 4.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.877 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.6 mm -61.46 121.03 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 74.34 111.157 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.15 2.15 41.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 65.52 112.494 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -90.14 175.14 7.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 72.23 110.928 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -103.27 142.31 34.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 71.44 110.85 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.48 145.86 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 62.34 110.853 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -88.41 -33.25 17.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 75.04 110.914 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.0 m -134.43 175.89 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 72.1 111.131 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.89 -42.75 76.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 73.31 111.135 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.91 -33.88 62.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 72.23 110.843 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -61.96 -31.73 72.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 72.44 110.878 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.75 127.3 36.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 71.21 110.873 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -29.28 68.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 75.32 110.866 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.9 -16.51 44.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 73.3 110.858 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt 64.58 46.32 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 73.44 110.856 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 mmt-85 -129.77 32.71 4.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 72.42 110.866 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.06 151.08 23.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 61.02 110.797 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.67 151.18 52.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 74.4 110.886 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -67.07 -29.99 69.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 74.42 110.884 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -86.6 -50.5 6.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.15 -0.477 . . . . 72.11 110.871 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.19 -40.8 82.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 73.2 111.098 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.49 10.29 3.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 72.34 111.077 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.62 140.02 33.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 62.44 110.887 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.08 113.68 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 65.14 110.842 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.01 133.09 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 71.52 111.176 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.892 -179.824 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.781 0.324 . . . . 74.41 110.941 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.65 -53.33 4.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 74.31 110.898 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.06 103.85 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 75.25 110.938 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -81.77 -172.98 4.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 74.25 110.967 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.5 mm -61.29 120.9 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.307 -0.406 . . . . 74.34 111.117 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.25 2.41 41.47 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 65.52 112.53 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -90.45 175.13 7.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.949 0.404 . . . . 72.23 110.839 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -103.29 142.17 34.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 71.44 110.855 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.3 145.77 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 62.34 110.84 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -88.26 -33.18 18.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 75.04 110.899 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.8 m -134.64 175.97 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 72.1 111.1 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.72 -42.96 76.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 73.31 111.145 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.94 -33.77 62.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.85 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -61.97 -31.7 72.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 72.44 110.902 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.69 127.25 36.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 71.21 110.881 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -29.19 68.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 75.32 110.906 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.1 t -84.02 -16.5 43.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 73.3 110.845 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt 64.57 46.48 3.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 73.44 110.913 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -130.01 32.77 4.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 72.42 110.863 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.08 151.14 22.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 61.02 110.849 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 tp -132.66 151.18 52.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 74.4 110.948 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -67.07 -30.05 69.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 74.42 110.818 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.53 -50.55 6.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 72.11 110.931 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.12 -40.84 82.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 73.2 111.069 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.46 10.33 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.399 . . . . 72.34 111.067 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.57 140.01 33.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 62.44 110.931 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.02 113.79 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 65.14 110.902 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.26 133.12 65.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 71.52 111.126 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 75.31 110.812 -179.812 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.804 0.335 . . . . 74.41 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.74 -53.32 4.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.858 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.02 104.0 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.891 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -81.78 -172.7 4.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 74.25 110.856 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.7 mm -61.73 121.07 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 74.34 111.159 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.2 2.21 41.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.736 . . . . 65.52 112.47 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -90.22 175.35 7.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.902 0.382 . . . . 72.23 110.857 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -103.5 142.24 34.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 71.44 110.795 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.37 145.85 4.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 62.34 110.889 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -88.32 -33.24 18.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.484 . . . . 75.04 110.909 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 m -134.52 175.9 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 72.1 111.115 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.87 -42.81 76.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 73.31 111.096 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.88 -33.9 62.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 72.23 110.868 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -61.81 -31.91 72.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.883 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.63 127.23 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 71.21 110.826 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -29.13 67.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 75.32 110.946 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 t -84.01 -16.47 43.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 73.3 110.86 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt 64.51 46.56 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.055 -0.52 . . . . 73.44 110.977 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 mmt-85 -130.16 32.71 4.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 72.42 110.806 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.03 151.11 23.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 61.02 110.858 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 tp -132.7 151.14 52.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.848 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -67.05 -29.99 69.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 74.42 110.9 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -86.56 -50.54 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 72.11 110.926 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.16 -40.78 82.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 73.2 111.111 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.36 10.38 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 72.34 111.087 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.53 139.94 33.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 62.44 110.904 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.99 113.72 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 65.14 110.936 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.11 133.09 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 71.52 111.186 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 75.31 110.913 -179.818 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.779 0.323 . . . . 74.41 110.932 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.7 -53.32 4.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.882 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.06 103.95 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 75.25 110.889 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -81.78 -173.1 4.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.884 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.6 mm -61.27 120.88 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 74.34 111.164 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.27 2.41 41.4 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.716 -0.754 . . . . 65.52 112.461 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -90.48 175.14 7.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.947 0.403 . . . . 72.23 110.814 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -103.22 142.24 34.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 71.44 110.874 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.37 145.7 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 62.34 110.823 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -88.09 -33.28 18.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.516 . . . . 75.04 110.981 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 m -134.57 176.06 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.507 . . . . 72.1 111.112 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.94 -42.87 76.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 73.31 111.06 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.89 -33.91 62.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 72.23 110.767 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.84 -31.87 72.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 72.44 110.935 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.57 127.31 36.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 71.21 110.899 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -29.22 68.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 75.32 110.867 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.9 t -84.07 -16.46 43.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 73.3 110.826 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 64.56 46.3 3.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.884 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.77 32.71 4.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 72.42 110.818 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.03 151.11 23.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 61.02 110.936 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.62 151.17 52.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 74.4 110.896 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -67.08 -30.04 69.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.868 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.55 -50.5 6.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 72.11 110.915 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.23 -40.74 81.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 73.2 111.077 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.47 10.28 3.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 72.34 111.113 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.54 140.06 33.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 62.44 110.894 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.09 113.66 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 65.14 110.841 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.12 133.14 64.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 71.52 111.151 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 75.31 110.864 -179.9 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.834 0.35 . . . . 74.41 110.93 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.63 -53.35 4.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.895 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.1 103.95 1.29 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 75.25 110.973 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -81.72 -172.52 3.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 74.25 110.935 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.8 mm -61.82 121.37 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.317 -0.401 . . . . 74.34 111.117 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.82 2.12 42.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.806 -0.712 . . . . 65.52 112.512 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -89.91 175.47 7.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.883 0.373 . . . . 72.23 110.844 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -103.76 142.21 34.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.838 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.34 145.88 4.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 62.34 110.863 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -88.31 -33.14 18.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.934 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.0 m -134.66 175.82 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 72.1 111.172 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.78 -42.79 76.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 73.31 111.135 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -54.83 -33.9 62.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 72.23 110.922 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -31.8 72.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.912 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.77 127.28 36.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 71.21 110.878 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -29.14 67.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 75.32 110.876 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.1 t -84.12 -16.45 43.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 73.3 110.816 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt 64.58 46.0 3.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 73.44 110.871 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.33 32.58 4.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.863 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.93 150.99 23.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 61.02 110.885 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.7 151.21 52.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 74.4 110.878 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -67.08 -29.84 69.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 74.42 110.95 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -86.61 -50.61 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 72.11 110.864 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.23 -40.83 81.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 73.2 111.052 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.46 10.29 3.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 72.34 111.135 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.54 139.8 33.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 62.44 110.802 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.7 113.55 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 65.14 110.901 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -116.97 133.1 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 71.52 111.126 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 75.31 110.899 -179.881 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.836 0.35 . . . . 74.41 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.59 -53.31 4.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.31 110.877 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.07 104.18 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 75.25 110.874 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -81.55 -171.0 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.25 110.861 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.4 mm -63.34 121.74 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.118 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.55 2.13 43.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 65.52 112.551 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -89.59 176.35 6.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 72.23 110.881 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -104.9 141.62 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 71.44 110.883 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -166.86 145.97 5.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 62.34 110.852 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -88.21 -33.24 18.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 75.04 110.876 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.8 m -134.56 175.97 9.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 72.1 111.125 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.78 -42.71 77.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 73.31 111.166 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -54.91 -33.9 62.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.23 110.797 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.82 -31.82 72.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 72.44 110.941 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 127.31 36.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.812 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -29.08 68.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 75.32 110.874 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.04 -16.43 43.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 73.3 110.858 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt 64.54 45.59 3.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.072 -0.513 . . . . 73.44 110.893 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.89 32.68 4.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 72.42 110.891 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.09 151.13 22.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 61.02 110.834 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 tp -132.6 151.16 52.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 74.4 110.889 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -66.99 -30.19 70.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 74.42 110.902 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -86.68 -50.31 6.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 72.11 110.916 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.14 -40.72 82.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 73.2 111.041 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.29 10.35 3.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 72.34 111.099 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.59 139.8 33.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 62.44 110.907 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.03 113.5 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 65.14 110.921 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -116.75 133.07 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 71.52 111.142 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 75.31 110.912 -179.889 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.904 0.383 . . . . 74.41 110.963 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.64 -53.38 4.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 74.31 110.88 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.5 103.81 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 75.25 110.903 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -81.87 -172.83 4.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 74.25 110.876 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.3 mm -61.5 121.19 9.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 74.34 111.095 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.05 2.3 42.03 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.744 -0.741 . . . . 65.52 112.539 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -90.32 175.15 7.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.835 0.35 . . . . 72.23 110.938 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -103.46 142.15 34.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 71.44 110.818 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.3 146.05 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 62.34 110.888 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -88.49 -33.38 17.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 75.04 110.9 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.1 m -134.29 175.8 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 72.1 111.111 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -42.85 76.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 73.31 111.136 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -54.85 -33.82 62.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.23 110.917 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.89 -31.77 72.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 72.44 110.906 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.82 127.35 36.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 71.21 110.83 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -29.27 68.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 75.32 110.947 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.9 t -83.92 -16.5 44.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 73.3 110.818 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt 64.48 46.51 3.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 73.44 110.937 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 mmt-85 -129.91 32.63 4.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 72.42 110.914 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.89 151.01 23.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 61.02 110.899 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 tp -132.71 151.2 52.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.952 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -67.14 -29.95 69.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.904 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.5 -50.52 6.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 72.11 110.993 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.24 -40.73 81.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 73.2 111.115 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.52 10.28 3.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 72.34 111.095 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.58 139.95 33.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 62.44 110.832 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.91 113.57 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 65.14 110.902 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.08 133.13 64.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 71.52 111.076 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 75.31 110.816 -179.837 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.896 0.379 . . . . 74.41 110.937 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.72 -53.29 4.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.87 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.59 103.91 1.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 75.25 110.903 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -81.62 -171.33 3.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.25 110.95 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.3 mm -62.92 121.34 11.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 74.34 111.132 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.01 2.54 42.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.795 -0.717 . . . . 65.52 112.504 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -90.2 176.04 6.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.362 . . . . 72.23 110.886 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -104.55 141.97 35.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 71.44 110.799 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -167.17 146.0 5.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 62.34 110.922 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -88.39 -32.95 18.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 75.04 110.908 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.5 m -134.69 175.88 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 72.1 111.079 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.92 -42.85 76.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.31 111.043 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.88 -33.82 62.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 72.23 110.819 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.97 -31.79 72.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 72.44 110.868 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.74 127.29 36.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 71.21 110.892 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.78 -29.3 68.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 75.32 110.842 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.82 -16.44 44.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 73.3 110.913 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt 64.5 46.33 3.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.113 -0.494 . . . . 73.44 110.871 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -129.82 32.61 4.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 72.42 110.854 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.03 151.18 22.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 61.02 110.845 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.67 151.12 52.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 74.4 110.96 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -67.15 -30.02 69.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 74.42 110.926 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -86.59 -50.48 6.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 72.11 110.888 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.11 -40.81 82.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 73.2 111.101 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.44 10.38 3.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 72.34 111.022 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.48 139.92 33.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 62.44 110.939 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.21 113.63 1.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 65.14 110.875 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.07 133.16 64.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 71.52 111.091 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.838 -179.852 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.855 0.36 . . . . 74.41 110.945 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.52 -53.4 4.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 74.31 110.958 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.48 103.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 75.25 110.964 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -81.84 -173.08 4.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.938 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.6 mm -61.21 120.87 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 74.34 111.13 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.4 2.39 41.02 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.753 -0.737 . . . . 65.52 112.495 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -90.44 174.86 7.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 72.23 110.943 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -103.07 142.19 34.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 71.44 110.886 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.31 145.92 4.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 62.34 110.814 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -88.46 -33.13 17.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.51 . . . . 75.04 110.947 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.1 m -134.6 175.81 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 72.1 111.088 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.91 -42.9 76.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 73.31 111.058 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -54.83 -33.86 62.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.875 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -31.86 72.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 72.44 110.882 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.69 127.32 36.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 71.21 110.812 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -29.28 68.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 75.32 110.879 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.3 t -83.91 -16.52 43.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 73.3 110.861 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt 64.54 46.32 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 73.44 110.898 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 mmt-85 -129.78 32.68 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 72.42 110.915 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.03 150.99 23.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 61.02 110.875 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.6 151.14 52.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 74.4 110.954 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -67.02 -30.08 70.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.42 110.871 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -86.47 -50.53 6.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 72.11 110.96 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.22 -40.67 82.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 73.2 111.16 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.47 10.24 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 72.34 111.129 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.54 140.0 33.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 62.44 110.891 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.93 113.58 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 65.14 110.906 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.06 133.16 64.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 71.52 111.163 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.6 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 75.31 110.813 -179.871 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.863 0.363 . . . . 74.41 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.73 -53.38 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 74.31 110.833 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.51 103.98 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 75.25 110.901 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.63 -171.07 3.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 74.25 110.868 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.5 mm -63.26 121.4 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 74.34 111.105 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.91 2.67 42.54 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.714 -0.755 . . . . 65.52 112.486 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -90.29 176.3 6.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.884 0.374 . . . . 72.23 110.87 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -104.78 141.9 35.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 71.44 110.88 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -167.17 146.06 5.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 62.34 110.842 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -88.29 -33.07 18.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.887 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.9 m -134.68 175.98 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 72.1 111.136 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.96 -42.85 76.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 73.31 111.064 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -54.79 -33.88 61.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 72.23 110.868 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -31.84 72.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.456 . . . . 72.44 110.871 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.88 127.31 36.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 71.21 110.794 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -29.25 68.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 75.32 110.947 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.4 t -83.78 -16.53 44.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 73.3 110.847 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.54 46.22 3.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 73.44 110.909 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 mmt-85 -129.71 32.75 4.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 72.42 110.857 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.16 151.16 22.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 61.02 110.807 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 tp -132.67 151.17 52.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.4 110.935 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -67.15 -30.02 69.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.869 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.63 -50.4 6.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 72.11 110.922 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.19 -40.76 82.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 73.2 111.143 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.39 10.3 3.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 72.34 111.129 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.42 139.89 33.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 62.44 110.884 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.04 113.45 1.02 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 65.14 110.913 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.0 133.11 64.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 71.52 111.123 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 75.31 110.845 -179.849 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.816 0.341 . . . . 74.41 110.945 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.65 -53.31 4.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.845 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.52 103.88 1.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.881 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.8 mtmt -81.9 -173.05 4.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 74.25 110.92 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.5 mm -61.27 120.91 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.415 . . . . 74.34 111.143 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.38 2.26 41.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 65.52 112.51 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -90.36 174.96 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.38 . . . . 72.23 110.857 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -103.19 142.24 34.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 71.44 110.869 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.38 145.91 4.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 62.34 110.903 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -88.35 -33.41 17.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 75.04 110.92 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.5 m -134.37 175.88 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 72.1 111.109 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.0 -42.74 76.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 73.31 111.085 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -54.9 -33.89 62.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 72.23 110.874 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -31.71 72.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.922 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.79 127.37 36.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 71.21 110.858 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -29.26 68.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 75.32 110.853 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.6 t -83.85 -16.59 43.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 73.3 110.908 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt 64.49 46.5 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 73.44 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.96 32.74 4.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.785 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.05 150.97 23.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 61.02 110.792 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.58 151.18 52.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 74.4 110.99 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -67.1 -29.99 69.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.891 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.54 -50.48 6.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 72.11 110.941 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.21 -40.83 82.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 73.2 111.036 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.5 10.35 3.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 72.34 111.08 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.57 140.08 33.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 62.44 110.911 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.08 113.68 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 65.14 110.906 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.18 133.09 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 71.52 111.148 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.6 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.817 -179.804 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.811 0.338 . . . . 74.41 110.923 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.64 -53.33 4.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 74.31 110.867 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.54 103.8 1.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 75.25 110.939 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.77 -172.69 4.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 74.25 110.873 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.7 mm -61.65 121.06 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 74.34 111.163 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.3 2.41 41.32 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.725 -0.75 . . . . 65.52 112.443 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -90.45 175.07 7.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.813 0.34 . . . . 72.23 110.956 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -103.35 142.19 34.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 71.44 110.887 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.35 145.89 4.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 62.34 110.875 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -88.34 -33.16 18.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 75.04 110.945 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.7 m -134.58 175.75 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.514 . . . . 72.1 111.093 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.8 -42.89 76.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 73.31 111.138 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.87 -33.84 62.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 72.23 110.852 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.88 -31.75 72.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 72.44 110.943 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.82 127.29 36.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 71.21 110.826 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.73 -29.33 68.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 75.32 110.936 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.81 -16.57 44.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 73.3 110.787 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.54 46.49 3.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 73.44 110.855 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -129.97 32.7 4.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 72.42 110.877 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.01 151.02 23.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 61.02 110.847 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 tp -132.63 151.27 52.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 74.4 110.903 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -67.22 -29.93 69.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.887 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.54 -50.59 6.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 72.11 110.884 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.11 -40.74 82.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 73.2 111.124 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.45 10.37 3.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 72.34 111.113 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.64 140.03 33.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 62.44 110.838 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.0 113.59 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 65.14 110.905 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.07 133.17 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 71.52 111.147 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 75.31 110.835 -179.867 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.801 0.334 . . . . 74.41 110.923 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.68 -53.29 4.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 74.31 110.922 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.58 103.95 1.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 75.25 110.863 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.66 -170.93 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 74.25 110.889 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.5 mm -63.33 121.57 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 74.34 111.156 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.75 2.58 43.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.748 . . . . 65.52 112.503 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -90.15 176.22 6.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 72.23 110.9 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -104.82 141.84 35.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.815 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -167.07 146.06 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 62.34 110.882 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -88.18 -33.3 18.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 75.04 110.921 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.0 m -134.53 176.07 9.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 72.1 111.109 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.95 -42.78 76.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 73.31 111.069 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -55.0 -33.78 62.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 72.23 110.875 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -61.82 -31.83 72.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.858 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.86 127.28 36.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 71.21 110.945 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -29.48 68.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 75.32 110.929 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -83.61 -16.53 44.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 73.3 110.917 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.56 46.31 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 73.44 110.948 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -129.77 32.71 4.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 72.42 110.937 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.0 151.12 23.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 61.02 110.849 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 tp -132.68 151.23 52.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 74.4 110.877 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -67.06 -30.21 70.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 74.42 110.9 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -86.51 -50.52 6.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 72.11 110.888 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.13 -40.7 82.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 73.2 111.128 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.35 10.25 3.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 72.34 111.127 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.45 139.88 33.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 62.44 110.902 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.06 113.53 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 65.14 110.896 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -116.92 133.02 64.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 71.52 111.14 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 75.31 110.8 -179.84 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.843 0.354 . . . . 74.41 110.935 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.69 -53.24 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.929 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.66 103.97 1.38 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 75.25 110.84 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.58 -171.05 3.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.903 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.5 mm -63.34 121.51 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.34 111.115 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.89 2.65 42.63 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.737 -0.744 . . . . 65.52 112.468 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -90.23 176.13 6.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 72.23 110.857 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -104.69 141.76 35.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 71.44 110.794 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -166.98 146.02 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 62.34 110.87 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -88.25 -33.18 18.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 75.04 110.954 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 m -134.5 175.95 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 72.1 111.139 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.98 -42.79 76.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 73.31 111.083 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -54.9 -33.78 62.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.925 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -31.8 72.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 72.44 110.962 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.89 127.35 36.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 71.21 110.876 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -29.41 68.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 75.32 110.867 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.3 t -83.68 -16.56 44.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 73.3 110.867 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm 64.56 46.35 3.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 73.44 110.923 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -129.82 32.59 4.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 72.42 110.877 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.95 151.14 23.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 61.02 110.88 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 tp -132.67 151.2 52.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 74.4 110.864 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -67.08 -30.2 70.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 74.42 110.859 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.53 -50.47 6.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 72.11 110.964 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.11 -40.74 82.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 73.2 111.133 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.32 10.37 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 72.34 111.144 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.57 139.76 33.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 62.44 110.91 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.93 113.44 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 65.14 110.871 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -116.97 133.02 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 71.52 111.165 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 75.31 110.862 -179.818 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.805 0.336 . . . . 74.41 110.957 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.66 -53.29 4.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.931 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.54 103.93 1.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 75.25 110.898 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.54 -171.02 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 74.25 110.937 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.3 mm -63.26 121.4 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 74.34 111.127 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.89 2.75 42.64 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 65.52 112.476 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -90.32 176.18 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.881 0.372 . . . . 72.23 110.931 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -104.67 141.94 35.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 71.44 110.889 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -167.18 146.04 5.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 62.34 110.869 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -88.32 -33.0 18.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 75.04 110.948 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.3 m -134.74 175.87 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 72.1 111.114 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.8 -42.81 76.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 73.31 111.143 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -54.92 -33.79 62.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 72.23 110.847 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -31.87 72.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.859 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.85 127.4 36.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 71.21 110.812 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.84 -29.3 68.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 75.32 110.861 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -83.76 -16.59 44.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 73.3 110.848 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt 64.57 46.24 3.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 73.44 110.882 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mmt-85 -129.69 32.62 4.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 72.42 110.896 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.99 151.07 23.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 61.02 110.844 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 tp -132.68 151.17 52.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 74.4 110.911 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -67.04 -30.13 70.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 74.42 110.889 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -86.58 -50.48 6.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 72.11 110.843 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.2 -40.68 82.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 73.2 111.102 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.39 10.32 3.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 72.34 111.081 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.46 139.84 33.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 62.44 110.872 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.03 113.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 65.14 110.868 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -116.99 133.07 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 71.52 111.122 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.836 -179.843 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.88 0.371 . . . . 74.41 110.843 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.62 -53.31 4.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.881 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.54 103.81 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 75.25 110.893 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -81.87 -173.03 4.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.868 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.5 mm -61.45 121.18 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 74.34 111.082 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.19 2.2 41.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 65.52 112.549 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -90.33 175.06 7.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.973 0.416 . . . . 72.23 110.803 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -103.29 142.17 34.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.073 -0.512 . . . . 71.44 110.888 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.27 145.93 4.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.268 -0.423 . . . . 62.34 110.907 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -88.39 -33.24 17.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 75.04 110.971 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.6 m -134.47 175.85 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 72.1 111.126 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -42.81 76.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 73.31 111.141 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.95 -33.82 62.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 72.23 110.877 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.89 -31.79 72.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 72.44 110.897 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.74 127.34 36.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 71.21 110.809 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.78 -29.37 68.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 75.32 110.831 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.0 t -83.89 -16.51 44.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.3 110.79 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt 64.53 46.49 3.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 73.44 110.914 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.0 mmt-85 -129.95 32.66 4.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 72.42 110.836 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.95 150.95 23.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 61.02 110.923 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.65 151.23 52.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 74.4 110.847 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -67.1 -30.05 69.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 74.42 110.874 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.49 -50.49 6.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 72.11 110.963 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.21 -40.84 82.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 73.2 111.03 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.5 10.33 3.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 72.34 111.037 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.52 139.98 33.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 62.44 110.899 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.94 113.62 1.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 65.14 110.904 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.13 133.09 64.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 71.52 111.111 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.843 -179.848 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.859 0.362 . . . . 74.41 110.832 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.6 -53.34 4.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 74.31 110.871 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.55 103.79 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 75.25 110.864 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -81.77 -172.94 4.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 74.25 110.855 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.3 mm -61.44 121.27 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 74.34 111.134 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.04 2.16 42.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 65.52 112.468 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -90.08 174.95 7.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 72.23 110.838 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -103.24 142.42 34.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.105 -0.498 . . . . 71.44 110.812 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.8 p -167.6 146.03 4.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 62.34 110.894 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -88.61 -33.23 17.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 75.04 110.877 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.5 m -134.32 175.73 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 72.1 111.103 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.85 -42.83 76.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 73.31 111.13 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -54.93 -33.87 62.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.854 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -31.88 72.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.871 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.72 127.29 36.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 71.21 110.916 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.65 -29.51 68.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 75.32 110.914 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.7 t -83.72 -16.56 44.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 73.3 110.842 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt 64.57 46.63 3.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 73.44 110.892 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.7 mmt-85 -130.14 32.66 4.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 72.42 110.867 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.94 150.99 23.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 61.02 110.933 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.64 151.21 52.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 74.4 110.878 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -67.06 -30.06 70.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.907 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -86.46 -50.59 6.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 72.11 110.882 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.24 -40.68 81.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 73.2 111.094 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.45 10.24 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 72.34 111.112 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.52 140.04 33.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 62.44 110.89 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.98 113.61 1.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 65.14 110.887 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.06 133.03 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 71.52 111.154 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 75.31 110.845 -179.862 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.861 0.363 . . . . 74.52 110.825 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -140.6 99.62 3.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 63.52 110.942 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.43 139.17 38.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 73.52 110.877 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.96 92.22 3.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 73.35 110.949 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -128.0 126.89 42.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 74.55 110.819 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -133.18 134.9 44.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 74.41 110.842 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.72 -53.28 4.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.859 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.14 103.92 1.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.925 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -81.79 -172.89 4.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 74.25 110.897 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.6 mm -61.44 121.1 8.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.425 . . . . 74.34 111.122 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.0 2.34 42.18 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.786 -0.721 . . . . 65.52 112.473 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -90.29 175.13 7.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.88 0.372 . . . . 72.23 110.873 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -103.28 142.34 34.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.809 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.41 145.78 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 62.34 110.894 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -88.35 -33.15 18.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 75.04 110.944 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.9 m -134.59 175.89 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 72.1 111.195 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -42.77 76.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 73.31 111.088 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.94 -33.81 62.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 72.23 110.858 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -61.95 -31.83 72.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 72.44 110.874 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.62 127.19 36.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 71.21 110.92 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.72 -29.33 68.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 75.32 110.888 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.1 t -83.88 -16.44 44.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 73.3 110.885 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt 64.54 46.41 3.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 73.44 110.92 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.86 32.64 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 72.42 110.849 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.0 151.08 23.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 61.02 110.847 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.64 151.21 52.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 74.4 110.92 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -67.11 -29.96 69.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 74.42 110.9 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -86.6 -50.51 6.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 72.11 110.921 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.21 -40.74 82.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 73.2 111.103 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.51 10.25 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 72.34 111.066 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.57 139.99 33.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 62.44 110.844 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.97 113.6 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 65.14 110.869 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.01 133.1 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 71.52 111.187 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.838 -179.798 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.769 0.319 . . . . 74.52 110.91 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -66.15 176.5 1.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 63.52 110.954 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -148.46 46.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 73.52 110.932 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 57.98 95.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 73.35 110.941 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -67.49 138.3 56.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 74.55 110.907 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -97.39 178.63 5.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 74.41 110.939 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.7 -53.26 4.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 74.31 110.896 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.1 103.86 1.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 75.25 110.913 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -81.73 -172.96 4.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 74.25 110.92 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.8 mm -61.47 120.99 8.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 74.34 111.15 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.23 2.25 41.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 65.52 112.5 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -90.28 175.11 7.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.761 0.315 . . . . 72.23 110.927 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -103.22 142.32 34.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 71.44 110.888 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.38 145.77 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 62.34 110.898 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -88.33 -33.21 18.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 75.04 110.884 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 m -134.58 175.91 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 72.1 111.109 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.83 -42.89 76.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 73.31 111.069 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -54.85 -33.89 62.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 72.23 110.853 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.79 -31.91 72.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 72.44 110.908 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.65 127.28 36.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 71.21 110.804 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -29.28 68.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 75.32 110.785 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.8 t -83.98 -16.44 44.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 73.3 110.861 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt 64.55 46.3 3.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 73.44 110.943 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -129.75 32.68 4.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 72.42 110.89 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.01 151.07 23.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 61.02 110.903 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.67 151.22 52.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 74.4 110.908 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -67.11 -30.0 69.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.925 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.51 -50.51 6.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 72.11 110.978 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.18 -40.77 82.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 73.2 111.104 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.48 10.28 3.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 72.34 111.047 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.56 140.05 33.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.42 . . . . 62.44 110.89 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.94 113.64 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 65.14 110.9 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.11 133.16 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 71.52 111.167 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 75.31 110.866 -179.88 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.804 0.335 . . . . 74.52 110.921 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -121.1 39.0 3.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 63.52 110.878 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -160.43 48.1 0.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 73.52 110.912 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -125.48 80.02 1.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 73.35 110.916 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -96.51 112.56 24.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 74.55 110.879 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.6 pm0 -72.71 148.49 44.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.861 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.61 -53.33 4.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.955 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.05 103.92 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 75.25 110.931 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -81.89 -172.94 4.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 74.25 110.927 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.6 mm -61.36 121.06 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 74.34 111.09 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.08 2.3 41.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 65.52 112.504 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -90.28 174.97 7.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 72.23 110.878 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -103.17 142.33 34.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.815 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.42 145.75 4.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 62.34 110.857 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -88.27 -33.29 18.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 75.04 110.983 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.6 m -134.49 175.91 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 72.1 111.119 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.86 -42.81 76.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 73.31 111.112 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -33.88 62.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.853 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.83 -31.83 72.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 72.44 110.971 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.68 127.17 36.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 71.21 110.876 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.67 -29.38 68.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 75.32 110.912 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.2 t -83.85 -16.53 44.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 73.3 110.816 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt 64.58 46.38 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.906 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -129.84 32.74 4.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 72.42 110.841 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.02 151.02 23.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 61.02 110.921 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.65 151.18 52.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.4 110.868 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -67.17 -29.95 69.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 74.42 110.848 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -86.53 -50.52 6.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.933 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.23 -40.79 81.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 73.2 111.125 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.47 10.29 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 72.34 111.141 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.56 140.04 33.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 62.44 110.906 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.9 113.63 1.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 65.14 110.903 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.04 133.12 64.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 71.52 111.101 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 75.31 110.908 -179.888 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.826 0.346 . . . . 74.52 110.842 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -135.84 -64.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 63.52 110.867 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -118.62 47.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 73.52 110.872 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -72.72 124.08 24.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 73.35 110.937 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 63.28 104.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 74.55 110.901 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -71.53 177.24 4.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 74.41 110.867 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.58 -53.38 4.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.925 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.04 103.95 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 75.25 110.945 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -81.83 -172.86 4.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.877 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.6 mm -61.46 121.03 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 74.34 111.157 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.15 2.15 41.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 65.52 112.494 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -90.14 175.14 7.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 72.23 110.928 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -103.27 142.31 34.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 71.44 110.85 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.48 145.86 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 62.34 110.853 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -88.41 -33.25 17.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 75.04 110.914 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.0 m -134.43 175.89 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 72.1 111.131 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.89 -42.75 76.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 73.31 111.135 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.91 -33.88 62.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 72.23 110.843 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -61.96 -31.73 72.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 72.44 110.878 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.75 127.3 36.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 71.21 110.873 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -29.28 68.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 75.32 110.866 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.9 -16.51 44.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 73.3 110.858 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt 64.58 46.32 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 73.44 110.856 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 mmt-85 -129.77 32.71 4.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 72.42 110.866 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.06 151.08 23.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 61.02 110.797 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.67 151.18 52.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 74.4 110.886 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -67.07 -29.99 69.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 74.42 110.884 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -86.6 -50.5 6.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.15 -0.477 . . . . 72.11 110.871 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.19 -40.8 82.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 73.2 111.098 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.49 10.29 3.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 72.34 111.077 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.62 140.02 33.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 62.44 110.887 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.08 113.68 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 65.14 110.842 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.01 133.09 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 71.52 111.176 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.892 -179.824 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.778 0.323 . . . . 74.52 110.869 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -163.89 -64.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 63.52 110.905 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -84.62 160.36 20.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 73.52 110.912 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 62.57 99.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.844 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -96.65 38.97 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 74.55 110.89 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 53.62 -173.24 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.941 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.65 -53.33 4.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 74.31 110.898 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.06 103.85 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 75.25 110.938 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -81.77 -172.98 4.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 74.25 110.967 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.5 mm -61.29 120.9 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.307 -0.406 . . . . 74.34 111.117 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.25 2.41 41.47 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 65.52 112.53 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -90.45 175.13 7.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.949 0.404 . . . . 72.23 110.839 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -103.29 142.17 34.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 71.44 110.855 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.3 145.77 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 62.34 110.84 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -88.26 -33.18 18.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 75.04 110.899 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.8 m -134.64 175.97 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 72.1 111.1 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.72 -42.96 76.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 73.31 111.145 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.94 -33.77 62.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.85 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -61.97 -31.7 72.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 72.44 110.902 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.69 127.25 36.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 71.21 110.881 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -29.19 68.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 75.32 110.906 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.1 t -84.02 -16.5 43.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 73.3 110.845 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt 64.57 46.48 3.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 73.44 110.913 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -130.01 32.77 4.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 72.42 110.863 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.08 151.14 22.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 61.02 110.849 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 tp -132.66 151.18 52.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 74.4 110.948 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -67.07 -30.05 69.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 74.42 110.818 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.53 -50.55 6.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 72.11 110.931 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.12 -40.84 82.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 73.2 111.069 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.46 10.33 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.399 . . . . 72.34 111.067 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.57 140.01 33.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 62.44 110.931 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.02 113.79 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 65.14 110.902 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.26 133.12 65.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 71.52 111.126 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 75.31 110.812 -179.812 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.762 0.315 . . . . 74.52 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -86.28 -68.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 63.52 110.914 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -139.51 148.68 42.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 73.52 110.883 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -170.52 149.1 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 73.35 110.928 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 63.19 104.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 74.55 110.918 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -81.08 156.27 25.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 74.41 110.907 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.74 -53.32 4.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.858 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.02 104.0 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.891 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -81.78 -172.7 4.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 74.25 110.856 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.7 mm -61.73 121.07 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 74.34 111.159 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.2 2.21 41.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.736 . . . . 65.52 112.47 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -90.22 175.35 7.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.902 0.382 . . . . 72.23 110.857 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -103.5 142.24 34.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 71.44 110.795 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.37 145.85 4.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 62.34 110.889 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -88.32 -33.24 18.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.484 . . . . 75.04 110.909 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 m -134.52 175.9 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 72.1 111.115 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.87 -42.81 76.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 73.31 111.096 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.88 -33.9 62.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 72.23 110.868 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -61.81 -31.91 72.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.883 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.63 127.23 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 71.21 110.826 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -29.13 67.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 75.32 110.946 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 t -84.01 -16.47 43.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 73.3 110.86 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt 64.51 46.56 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.055 -0.52 . . . . 73.44 110.977 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 mmt-85 -130.16 32.71 4.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 72.42 110.806 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.03 151.11 23.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 61.02 110.858 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 tp -132.7 151.14 52.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.848 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -67.05 -29.99 69.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 74.42 110.9 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -86.56 -50.54 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 72.11 110.926 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.16 -40.78 82.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 73.2 111.111 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.36 10.38 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 72.34 111.087 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.53 139.94 33.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 62.44 110.904 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.99 113.72 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 65.14 110.936 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.11 133.09 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 71.52 111.186 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 75.31 110.913 -179.818 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.4 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.869 0.366 . . . . 74.52 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -122.1 132.57 54.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 63.52 110.887 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -154.75 52.56 0.64 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.45 . . . . 73.52 110.839 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -116.22 118.05 31.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 73.35 110.908 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.45 37.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 74.55 110.894 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 53.72 -173.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.932 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.7 -53.32 4.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.882 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.06 103.95 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 75.25 110.889 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -81.78 -173.1 4.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.884 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.6 mm -61.27 120.88 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 74.34 111.164 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.27 2.41 41.4 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.716 -0.754 . . . . 65.52 112.461 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -90.48 175.14 7.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.947 0.403 . . . . 72.23 110.814 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -103.22 142.24 34.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 71.44 110.874 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.37 145.7 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 62.34 110.823 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -88.09 -33.28 18.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.516 . . . . 75.04 110.981 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 m -134.57 176.06 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.507 . . . . 72.1 111.112 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.94 -42.87 76.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 73.31 111.06 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.89 -33.91 62.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 72.23 110.767 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.84 -31.87 72.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 72.44 110.935 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.57 127.31 36.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 71.21 110.899 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -29.22 68.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 75.32 110.867 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.9 t -84.07 -16.46 43.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 73.3 110.826 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 64.56 46.3 3.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.884 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.77 32.71 4.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 72.42 110.818 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.03 151.11 23.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 61.02 110.936 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.62 151.17 52.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 74.4 110.896 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -67.08 -30.04 69.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.868 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.55 -50.5 6.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 72.11 110.915 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.23 -40.74 81.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 73.2 111.077 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.47 10.28 3.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 72.34 111.113 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.54 140.06 33.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 62.44 110.894 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.09 113.66 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 65.14 110.841 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.12 133.14 64.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 71.52 111.151 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 75.31 110.864 -179.9 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.839 0.352 . . . . 74.52 110.878 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -144.99 173.0 12.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 63.52 110.892 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -148.17 152.67 37.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 73.52 110.923 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -143.98 96.99 2.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 73.35 110.917 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.4 ttm-85 -88.81 138.08 31.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 74.55 110.84 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -125.02 139.43 53.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.93 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.63 -53.35 4.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.895 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.1 103.95 1.29 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 75.25 110.973 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -81.72 -172.52 3.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 74.25 110.935 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.8 mm -61.82 121.37 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.317 -0.401 . . . . 74.34 111.117 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.82 2.12 42.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.806 -0.712 . . . . 65.52 112.512 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -89.91 175.47 7.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.883 0.373 . . . . 72.23 110.844 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -103.76 142.21 34.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.838 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.34 145.88 4.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 62.34 110.863 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -88.31 -33.14 18.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.934 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.0 m -134.66 175.82 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 72.1 111.172 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.78 -42.79 76.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 73.31 111.135 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -54.83 -33.9 62.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 72.23 110.922 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -31.8 72.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.912 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.77 127.28 36.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 71.21 110.878 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -29.14 67.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 75.32 110.876 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.1 t -84.12 -16.45 43.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 73.3 110.816 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt 64.58 46.0 3.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 73.44 110.871 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.33 32.58 4.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.863 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.93 150.99 23.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 61.02 110.885 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.7 151.21 52.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 74.4 110.878 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -67.08 -29.84 69.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 74.42 110.95 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -86.61 -50.61 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 72.11 110.864 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.23 -40.83 81.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 73.2 111.052 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.46 10.29 3.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 72.34 111.135 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.54 139.8 33.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 62.44 110.802 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.7 113.55 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 65.14 110.901 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -116.97 133.1 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 71.52 111.126 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 75.31 110.899 -179.881 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 72.4 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.799 0.333 . . . . 74.52 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 59.35 38.84 22.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 63.52 110.92 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -133.23 -178.26 4.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 73.52 110.851 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -147.01 93.57 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 73.35 110.97 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -65.34 112.42 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 74.55 110.857 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -73.4 -173.11 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 74.41 110.877 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.59 -53.31 4.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.31 110.877 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.07 104.18 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 75.25 110.874 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -81.55 -171.0 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.25 110.861 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.4 mm -63.34 121.74 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.118 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.55 2.13 43.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 65.52 112.551 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -89.59 176.35 6.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 72.23 110.881 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -104.9 141.62 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 71.44 110.883 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -166.86 145.97 5.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 62.34 110.852 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -88.21 -33.24 18.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 75.04 110.876 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.8 m -134.56 175.97 9.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 72.1 111.125 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.78 -42.71 77.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 73.31 111.166 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -54.91 -33.9 62.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.23 110.797 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.82 -31.82 72.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 72.44 110.941 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 127.31 36.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.812 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -29.08 68.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 75.32 110.874 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.04 -16.43 43.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 73.3 110.858 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt 64.54 45.59 3.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.072 -0.513 . . . . 73.44 110.893 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.89 32.68 4.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 72.42 110.891 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.09 151.13 22.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 61.02 110.834 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 tp -132.6 151.16 52.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 74.4 110.889 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -66.99 -30.19 70.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 74.42 110.902 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -86.68 -50.31 6.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 72.11 110.916 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.14 -40.72 82.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 73.2 111.041 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.29 10.35 3.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 72.34 111.099 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.59 139.8 33.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 62.44 110.907 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.03 113.5 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 65.14 110.921 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -116.75 133.07 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 71.52 111.142 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 75.31 110.912 -179.889 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.819 0.342 . . . . 74.52 110.901 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -99.71 163.09 12.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 63.52 110.907 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.24 160.8 17.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 73.52 110.865 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 59.33 96.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 73.35 110.85 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -65.4 142.64 58.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 74.55 110.809 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -80.47 177.5 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 74.41 110.963 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.64 -53.38 4.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 74.31 110.88 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.5 103.81 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 75.25 110.903 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -81.87 -172.83 4.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 74.25 110.876 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.3 mm -61.5 121.19 9.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 74.34 111.095 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.05 2.3 42.03 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.744 -0.741 . . . . 65.52 112.539 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -90.32 175.15 7.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.835 0.35 . . . . 72.23 110.938 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -103.46 142.15 34.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 71.44 110.818 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.3 146.05 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 62.34 110.888 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -88.49 -33.38 17.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 75.04 110.9 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.1 m -134.29 175.8 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 72.1 111.111 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -42.85 76.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 73.31 111.136 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -54.85 -33.82 62.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.23 110.917 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.89 -31.77 72.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 72.44 110.906 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.82 127.35 36.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 71.21 110.83 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -29.27 68.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 75.32 110.947 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.9 t -83.92 -16.5 44.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 73.3 110.818 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt 64.48 46.51 3.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 73.44 110.937 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 mmt-85 -129.91 32.63 4.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 72.42 110.914 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.89 151.01 23.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 61.02 110.899 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 tp -132.71 151.2 52.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.952 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -67.14 -29.95 69.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.904 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.5 -50.52 6.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 72.11 110.993 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.24 -40.73 81.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 73.2 111.115 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.52 10.28 3.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 72.34 111.095 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.58 139.95 33.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 62.44 110.832 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.91 113.57 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 65.14 110.902 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.08 133.13 64.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 71.52 111.076 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 75.31 110.816 -179.837 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.805 0.335 . . . . 74.52 110.877 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -162.71 119.65 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 63.52 110.949 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.62 149.8 29.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 73.52 110.876 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 59.23 94.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 73.35 110.85 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -97.06 104.98 17.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 74.55 110.913 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -94.89 177.51 5.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 74.41 110.937 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.72 -53.29 4.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.87 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.59 103.91 1.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 75.25 110.903 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -81.62 -171.33 3.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.25 110.95 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.3 mm -62.92 121.34 11.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 74.34 111.132 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.01 2.54 42.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.795 -0.717 . . . . 65.52 112.504 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -90.2 176.04 6.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.362 . . . . 72.23 110.886 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -104.55 141.97 35.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 71.44 110.799 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -167.17 146.0 5.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 62.34 110.922 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -88.39 -32.95 18.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 75.04 110.908 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.5 m -134.69 175.88 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 72.1 111.079 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.92 -42.85 76.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.31 111.043 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.88 -33.82 62.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 72.23 110.819 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.97 -31.79 72.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 72.44 110.868 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.74 127.29 36.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 71.21 110.892 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.78 -29.3 68.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 75.32 110.842 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.82 -16.44 44.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 73.3 110.913 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt 64.5 46.33 3.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.113 -0.494 . . . . 73.44 110.871 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -129.82 32.61 4.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 72.42 110.854 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.03 151.18 22.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 61.02 110.845 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.67 151.12 52.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 74.4 110.96 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -67.15 -30.02 69.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 74.42 110.926 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -86.59 -50.48 6.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 72.11 110.888 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.11 -40.81 82.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 73.2 111.101 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.44 10.38 3.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 72.34 111.022 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.48 139.92 33.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 62.44 110.939 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.21 113.63 1.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 65.14 110.875 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.07 133.16 64.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 71.52 111.091 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.838 -179.852 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.776 0.322 . . . . 74.52 110.928 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -131.79 143.93 50.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 63.52 110.944 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.08 160.71 27.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 73.52 110.828 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -170.31 40.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 73.35 110.899 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -100.99 39.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 74.55 110.81 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -77.96 159.95 28.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.945 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.52 -53.4 4.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 74.31 110.958 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.48 103.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 75.25 110.964 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -81.84 -173.08 4.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.938 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.6 mm -61.21 120.87 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 74.34 111.13 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.4 2.39 41.02 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.753 -0.737 . . . . 65.52 112.495 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -90.44 174.86 7.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 72.23 110.943 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -103.07 142.19 34.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 71.44 110.886 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.31 145.92 4.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 62.34 110.814 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -88.46 -33.13 17.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.51 . . . . 75.04 110.947 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.1 m -134.6 175.81 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 72.1 111.088 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.91 -42.9 76.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 73.31 111.058 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -54.83 -33.86 62.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.875 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -31.86 72.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 72.44 110.882 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.69 127.32 36.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 71.21 110.812 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -29.28 68.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 75.32 110.879 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.3 t -83.91 -16.52 43.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 73.3 110.861 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt 64.54 46.32 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 73.44 110.898 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 mmt-85 -129.78 32.68 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 72.42 110.915 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.03 150.99 23.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 61.02 110.875 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.6 151.14 52.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 74.4 110.954 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -67.02 -30.08 70.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.42 110.871 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -86.47 -50.53 6.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 72.11 110.96 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.22 -40.67 82.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 73.2 111.16 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.47 10.24 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 72.34 111.129 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.54 140.0 33.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 62.44 110.891 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.93 113.58 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 65.14 110.906 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.06 133.16 64.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 71.52 111.163 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.6 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 75.31 110.813 -179.871 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.814 0.34 . . . . 74.52 110.928 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.28 -178.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 63.52 110.909 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -163.54 127.89 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 73.52 110.929 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -137.35 169.94 16.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 73.35 110.904 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.1 ttm-85 63.24 104.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 74.55 110.89 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.47 163.68 8.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.908 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.73 -53.38 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 74.31 110.833 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.51 103.98 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 75.25 110.901 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.63 -171.07 3.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 74.25 110.868 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.5 mm -63.26 121.4 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 74.34 111.105 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.91 2.67 42.54 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.714 -0.755 . . . . 65.52 112.486 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -90.29 176.3 6.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.884 0.374 . . . . 72.23 110.87 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -104.78 141.9 35.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 71.44 110.88 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -167.17 146.06 5.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 62.34 110.842 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -88.29 -33.07 18.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.887 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.9 m -134.68 175.98 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 72.1 111.136 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.96 -42.85 76.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 73.31 111.064 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -54.79 -33.88 61.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 72.23 110.868 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -31.84 72.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.456 . . . . 72.44 110.871 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.88 127.31 36.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 71.21 110.794 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -29.25 68.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 75.32 110.947 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.4 t -83.78 -16.53 44.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 73.3 110.847 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.54 46.22 3.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 73.44 110.909 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 mmt-85 -129.71 32.75 4.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 72.42 110.857 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.16 151.16 22.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 61.02 110.807 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 tp -132.67 151.17 52.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.4 110.935 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -67.15 -30.02 69.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.869 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.63 -50.4 6.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 72.11 110.922 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.19 -40.76 82.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 73.2 111.143 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.39 10.3 3.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 72.34 111.129 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.42 139.89 33.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 62.44 110.884 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.04 113.45 1.02 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 65.14 110.913 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.0 133.11 64.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 71.52 111.123 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 75.31 110.845 -179.849 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.815 0.341 . . . . 74.52 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.04 -50.31 9.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 63.52 110.857 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -65.55 147.31 53.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 73.52 110.878 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -150.41 56.82 0.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 73.35 110.872 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 ttm-85 -98.92 39.53 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.55 110.882 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -105.78 146.51 29.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 74.41 110.945 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.65 -53.31 4.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.845 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.52 103.88 1.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.881 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.8 mtmt -81.9 -173.05 4.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 74.25 110.92 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.5 mm -61.27 120.91 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.415 . . . . 74.34 111.143 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.38 2.26 41.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 65.52 112.51 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -90.36 174.96 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.38 . . . . 72.23 110.857 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -103.19 142.24 34.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 71.44 110.869 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.38 145.91 4.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 62.34 110.903 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -88.35 -33.41 17.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 75.04 110.92 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.5 m -134.37 175.88 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 72.1 111.109 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.0 -42.74 76.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 73.31 111.085 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -54.9 -33.89 62.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 72.23 110.874 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -31.71 72.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.922 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.79 127.37 36.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 71.21 110.858 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -29.26 68.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 75.32 110.853 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.6 t -83.85 -16.59 43.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 73.3 110.908 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt 64.49 46.5 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 73.44 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.96 32.74 4.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.785 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.05 150.97 23.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 61.02 110.792 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.58 151.18 52.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 74.4 110.99 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -67.1 -29.99 69.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.891 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.54 -50.48 6.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 72.11 110.941 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.21 -40.83 82.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 73.2 111.036 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.5 10.35 3.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 72.34 111.08 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.57 140.08 33.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 62.44 110.911 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.08 113.68 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 65.14 110.906 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.18 133.09 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 71.52 111.148 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.6 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.817 -179.804 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.81 0.338 . . . . 74.52 110.85 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.01 102.46 11.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 63.52 110.89 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -132.08 43.07 3.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 73.52 110.842 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -97.47 147.04 24.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.86 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 63.26 104.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.55 110.89 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -123.85 143.88 50.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 74.41 110.923 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.64 -53.33 4.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 74.31 110.867 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.54 103.8 1.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 75.25 110.939 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.77 -172.69 4.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 74.25 110.873 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.7 mm -61.65 121.06 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 74.34 111.163 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.3 2.41 41.32 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.725 -0.75 . . . . 65.52 112.443 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -90.45 175.07 7.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.813 0.34 . . . . 72.23 110.956 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -103.35 142.19 34.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 71.44 110.887 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.35 145.89 4.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 62.34 110.875 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -88.34 -33.16 18.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 75.04 110.945 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.7 m -134.58 175.75 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.514 . . . . 72.1 111.093 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.8 -42.89 76.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 73.31 111.138 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.87 -33.84 62.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 72.23 110.852 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.88 -31.75 72.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 72.44 110.943 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.82 127.29 36.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 71.21 110.826 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.73 -29.33 68.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 75.32 110.936 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.81 -16.57 44.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 73.3 110.787 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.54 46.49 3.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 73.44 110.855 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -129.97 32.7 4.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 72.42 110.877 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.01 151.02 23.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 61.02 110.847 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 tp -132.63 151.27 52.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 74.4 110.903 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -67.22 -29.93 69.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.887 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.54 -50.59 6.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 72.11 110.884 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.11 -40.74 82.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 73.2 111.124 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.45 10.37 3.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 72.34 111.113 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.64 140.03 33.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 62.44 110.838 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.0 113.59 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 65.14 110.905 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.07 133.17 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 71.52 111.147 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 75.31 110.835 -179.867 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.849 0.357 . . . . 74.52 110.883 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -79.97 102.93 9.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 63.52 110.91 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -141.68 137.08 31.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.28 -0.418 . . . . 73.52 110.9 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -138.63 130.63 28.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 73.35 110.888 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -87.46 124.94 33.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 74.55 110.851 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -66.55 176.16 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.923 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.68 -53.29 4.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 74.31 110.922 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.58 103.95 1.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 75.25 110.863 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.66 -170.93 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 74.25 110.889 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.5 mm -63.33 121.57 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 74.34 111.156 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.75 2.58 43.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.748 . . . . 65.52 112.503 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -90.15 176.22 6.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 72.23 110.9 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -104.82 141.84 35.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.815 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -167.07 146.06 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 62.34 110.882 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -88.18 -33.3 18.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 75.04 110.921 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.0 m -134.53 176.07 9.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 72.1 111.109 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.95 -42.78 76.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 73.31 111.069 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -55.0 -33.78 62.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 72.23 110.875 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -61.82 -31.83 72.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.858 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.86 127.28 36.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 71.21 110.945 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -29.48 68.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 75.32 110.929 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -83.61 -16.53 44.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 73.3 110.917 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.56 46.31 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 73.44 110.948 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -129.77 32.71 4.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 72.42 110.937 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.0 151.12 23.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 61.02 110.849 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 tp -132.68 151.23 52.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 74.4 110.877 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -67.06 -30.21 70.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 74.42 110.9 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -86.51 -50.52 6.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 72.11 110.888 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.13 -40.7 82.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 73.2 111.128 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.35 10.25 3.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 72.34 111.127 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.45 139.88 33.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 62.44 110.902 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.06 113.53 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 65.14 110.896 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -116.92 133.02 64.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 71.52 111.14 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 75.31 110.8 -179.84 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.799 0.333 . . . . 74.52 110.85 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -54.66 -72.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 63.52 110.873 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.53 164.81 11.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 73.52 110.892 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -139.33 146.27 40.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.917 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -57.38 127.57 32.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 74.55 110.83 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -63.59 165.69 7.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 74.41 110.935 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.69 -53.24 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.929 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.66 103.97 1.38 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 75.25 110.84 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.58 -171.05 3.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.903 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.5 mm -63.34 121.51 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.34 111.115 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.89 2.65 42.63 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.737 -0.744 . . . . 65.52 112.468 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -90.23 176.13 6.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 72.23 110.857 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -104.69 141.76 35.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 71.44 110.794 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -166.98 146.02 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 62.34 110.87 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -88.25 -33.18 18.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 75.04 110.954 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 m -134.5 175.95 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 72.1 111.139 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.98 -42.79 76.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 73.31 111.083 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -54.9 -33.78 62.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.925 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -31.8 72.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 72.44 110.962 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.89 127.35 36.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 71.21 110.876 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -29.41 68.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 75.32 110.867 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.3 t -83.68 -16.56 44.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 73.3 110.867 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm 64.56 46.35 3.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 73.44 110.923 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -129.82 32.59 4.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 72.42 110.877 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.95 151.14 23.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 61.02 110.88 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 tp -132.67 151.2 52.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 74.4 110.864 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -67.08 -30.2 70.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 74.42 110.859 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.53 -50.47 6.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 72.11 110.964 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.11 -40.74 82.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 73.2 111.133 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.32 10.37 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 72.34 111.144 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.57 139.76 33.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 62.44 110.91 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.93 113.44 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 65.14 110.871 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -116.97 133.02 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 71.52 111.165 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 75.31 110.862 -179.818 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.526 0.041 0 CA-C-O 120.808 0.337 . . . . 74.52 110.831 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -89.01 165.02 14.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 63.52 110.916 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -137.6 137.51 38.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 73.52 110.89 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -149.91 154.1 37.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.35 110.921 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -110.31 115.13 29.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 74.55 110.81 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -59.65 165.73 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 74.41 110.957 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.66 -53.29 4.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.931 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.54 103.93 1.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 75.25 110.898 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.54 -171.02 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 74.25 110.937 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.3 mm -63.26 121.4 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 74.34 111.127 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.89 2.75 42.64 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 65.52 112.476 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -90.32 176.18 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.881 0.372 . . . . 72.23 110.931 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -104.67 141.94 35.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 71.44 110.889 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -167.18 146.04 5.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 62.34 110.869 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -88.32 -33.0 18.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 75.04 110.948 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.3 m -134.74 175.87 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 72.1 111.114 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.8 -42.81 76.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 73.31 111.143 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -54.92 -33.79 62.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 72.23 110.847 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -31.87 72.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.859 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.85 127.4 36.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 71.21 110.812 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.84 -29.3 68.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 75.32 110.861 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -83.76 -16.59 44.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 73.3 110.848 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt 64.57 46.24 3.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 73.44 110.882 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mmt-85 -129.69 32.62 4.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 72.42 110.896 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.99 151.07 23.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 61.02 110.844 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 tp -132.68 151.17 52.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 74.4 110.911 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -67.04 -30.13 70.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 74.42 110.889 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -86.58 -50.48 6.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 72.11 110.843 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.2 -40.68 82.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 73.2 111.102 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.39 10.32 3.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 72.34 111.081 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.46 139.84 33.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 62.44 110.872 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.03 113.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 65.14 110.868 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -116.99 133.07 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 71.52 111.122 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.836 -179.843 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.1 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.822 0.344 . . . . 74.52 110.818 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -137.11 -44.69 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 63.52 110.932 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -105.12 155.6 18.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 73.52 110.947 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -120.78 51.0 1.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 73.35 110.89 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 58.62 38.59 25.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 74.55 110.846 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -73.51 170.52 14.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 74.41 110.843 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.62 -53.31 4.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.881 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.54 103.81 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 75.25 110.893 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -81.87 -173.03 4.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.868 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.5 mm -61.45 121.18 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 74.34 111.082 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.19 2.2 41.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 65.52 112.549 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -90.33 175.06 7.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.973 0.416 . . . . 72.23 110.803 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -103.29 142.17 34.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.073 -0.512 . . . . 71.44 110.888 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.27 145.93 4.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.268 -0.423 . . . . 62.34 110.907 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -88.39 -33.24 17.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 75.04 110.971 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.6 m -134.47 175.85 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 72.1 111.126 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -42.81 76.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 73.31 111.141 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.95 -33.82 62.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 72.23 110.877 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.89 -31.79 72.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 72.44 110.897 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.74 127.34 36.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 71.21 110.809 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.78 -29.37 68.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 75.32 110.831 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.0 t -83.89 -16.51 44.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.3 110.79 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt 64.53 46.49 3.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 73.44 110.914 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.0 mmt-85 -129.95 32.66 4.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 72.42 110.836 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.95 150.95 23.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 61.02 110.923 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.65 151.23 52.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 74.4 110.847 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -67.1 -30.05 69.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 74.42 110.874 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -86.49 -50.49 6.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 72.11 110.963 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.21 -40.84 82.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 73.2 111.03 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.5 10.33 3.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 72.34 111.037 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.52 139.98 33.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 62.44 110.899 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.94 113.62 1.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 65.14 110.904 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.13 133.09 64.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 71.52 111.111 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.843 -179.848 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.8 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.789 0.328 . . . . 74.52 110.843 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -121.22 -71.34 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 63.52 110.933 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -127.68 -179.77 5.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 73.52 110.885 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -135.75 -172.86 3.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 73.35 110.984 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -89.5 117.96 28.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 74.55 110.897 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -70.57 153.85 42.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 74.41 110.832 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.6 -53.34 4.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 74.31 110.871 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.55 103.79 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 75.25 110.864 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -81.77 -172.94 4.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 74.25 110.855 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.3 mm -61.44 121.27 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 74.34 111.134 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.04 2.16 42.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 65.52 112.468 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -90.08 174.95 7.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 72.23 110.838 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -103.24 142.42 34.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.105 -0.498 . . . . 71.44 110.812 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.8 p -167.6 146.03 4.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 62.34 110.894 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -88.61 -33.23 17.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 75.04 110.877 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.5 m -134.32 175.73 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 72.1 111.103 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.85 -42.83 76.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 73.31 111.13 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -54.93 -33.87 62.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.854 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -31.88 72.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.871 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.72 127.29 36.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 71.21 110.916 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.65 -29.51 68.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 75.32 110.914 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.7 t -83.72 -16.56 44.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 73.3 110.842 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt 64.57 46.63 3.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 73.44 110.892 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.7 mmt-85 -130.14 32.66 4.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 72.42 110.867 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.94 150.99 23.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 61.02 110.933 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.64 151.21 52.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 74.4 110.878 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -67.06 -30.06 70.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.907 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -86.46 -50.59 6.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 72.11 110.882 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.24 -40.68 81.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 73.2 111.094 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.45 10.24 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 72.34 111.112 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.52 140.04 33.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 62.44 110.89 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.98 113.61 1.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 65.14 110.887 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.06 133.03 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 71.52 111.154 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 75.31 110.845 -179.862 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.875 0.369 . . . . 73.21 110.842 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.72 -53.28 4.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.859 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.14 103.92 1.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.925 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -81.79 -172.89 4.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 74.25 110.897 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.411 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.6 mm -61.44 121.1 8.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.425 . . . . 72.53 111.122 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.0 2.34 42.18 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.786 -0.721 . . . . 50.44 112.473 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -90.29 175.13 7.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.88 0.372 . . . . 72.23 110.873 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -103.28 142.34 34.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 65.33 110.809 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.41 145.78 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 62.05 110.894 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -88.35 -33.15 18.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 75.04 110.944 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.9 m -134.59 175.89 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 52.25 111.195 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -42.77 76.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 71.23 111.088 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.94 -33.81 62.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 72.23 110.858 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -61.95 -31.83 72.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 72.44 110.874 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.62 127.19 36.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 53.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.72 -29.33 68.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 32.03 110.888 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.1 t -83.88 -16.44 44.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 73.3 110.885 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt 64.54 46.41 3.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 71.41 110.92 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.86 32.64 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 72.42 110.849 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.0 151.08 23.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 43.43 110.847 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.414 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.64 151.21 52.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 72.2 110.92 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -67.11 -29.96 69.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 74.42 110.9 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.414 ' HB2' HD23 ' A' ' 26' ' ' LEU . 97.9 m-85 -86.6 -50.51 6.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 71.23 110.921 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.21 -40.74 82.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 61.12 111.103 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.51 10.25 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 72.24 111.066 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.57 139.99 33.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 62.44 110.844 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.97 113.6 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 65.14 110.869 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.01 133.1 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 71.52 111.187 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.838 -179.798 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.82 0.343 . . . . 73.21 110.939 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.7 -53.26 4.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 74.31 110.896 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.1 103.86 1.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 75.25 110.913 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -81.73 -172.96 4.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 74.25 110.92 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.413 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.8 mm -61.47 120.99 8.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 72.53 111.15 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.23 2.25 41.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 50.44 112.5 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -90.28 175.11 7.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.761 0.315 . . . . 72.23 110.927 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -103.22 142.32 34.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 65.33 110.888 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.38 145.77 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 62.05 110.898 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -88.33 -33.21 18.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 75.04 110.884 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 m -134.58 175.91 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 52.25 111.109 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.83 -42.89 76.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 71.23 111.069 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -54.85 -33.89 62.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 72.23 110.853 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.79 -31.91 72.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 72.44 110.908 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.65 127.28 36.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 53.0 110.804 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -29.28 68.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 32.03 110.785 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.8 t -83.98 -16.44 44.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 73.3 110.861 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt 64.55 46.3 3.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 71.41 110.943 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -129.75 32.68 4.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 72.42 110.89 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.01 151.07 23.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 43.43 110.903 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.411 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.67 151.22 52.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 72.2 110.908 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -67.11 -30.0 69.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.925 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.411 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.51 -50.51 6.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 71.23 110.978 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.18 -40.77 82.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 61.12 111.104 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.48 10.28 3.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 72.24 111.047 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.56 140.05 33.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.42 . . . . 62.44 110.89 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.413 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.94 113.64 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 65.14 110.9 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.11 133.16 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 71.52 111.167 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 75.31 110.866 -179.88 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.493 HE21 ' N ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.919 0.39 . . . . 73.21 110.861 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.61 -53.33 4.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.955 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.05 103.92 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 75.25 110.931 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -81.89 -172.94 4.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 74.25 110.927 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.407 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.6 mm -61.36 121.06 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 72.53 111.09 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.08 2.3 41.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 50.44 112.504 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -90.28 174.97 7.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 72.23 110.878 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -103.17 142.33 34.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 65.33 110.815 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.42 145.75 4.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 62.05 110.857 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -88.27 -33.29 18.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 75.04 110.983 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.6 m -134.49 175.91 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 52.25 111.119 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.86 -42.81 76.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 71.23 111.112 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -33.88 62.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.853 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.83 -31.83 72.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 72.44 110.971 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.68 127.17 36.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 53.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.67 -29.38 68.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 32.03 110.912 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.2 t -83.85 -16.53 44.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 73.3 110.816 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt 64.58 46.38 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 71.41 110.906 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -129.84 32.74 4.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 72.42 110.841 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.02 151.02 23.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 43.43 110.921 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.417 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.65 151.18 52.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 72.2 110.868 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -67.17 -29.95 69.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 74.42 110.848 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.417 ' HB2' HD23 ' A' ' 26' ' ' LEU . 97.9 m-85 -86.53 -50.52 6.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 71.23 110.933 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.23 -40.79 81.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 61.12 111.125 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.47 10.29 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 72.24 111.141 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.56 140.04 33.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 62.44 110.906 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.9 113.63 1.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 65.14 110.903 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.04 133.12 64.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 71.52 111.101 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 75.31 110.908 -179.888 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.83 0.348 . . . . 73.21 110.867 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.58 -53.38 4.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.925 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.04 103.95 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 75.25 110.945 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -81.83 -172.86 4.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.877 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.412 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.6 mm -61.46 121.03 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 72.53 111.157 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.15 2.15 41.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 50.44 112.494 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -90.14 175.14 7.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 72.23 110.928 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -103.27 142.31 34.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 65.33 110.85 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.48 145.86 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 62.05 110.853 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -88.41 -33.25 17.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 75.04 110.914 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.0 m -134.43 175.89 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 52.25 111.131 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.89 -42.75 76.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 71.23 111.135 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.91 -33.88 62.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 72.23 110.843 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -61.96 -31.73 72.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 72.44 110.878 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.75 127.3 36.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 53.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -29.28 68.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 32.03 110.866 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.9 -16.51 44.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 73.3 110.858 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt 64.58 46.32 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.856 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 mmt-85 -129.77 32.71 4.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 72.42 110.866 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.06 151.08 23.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 43.43 110.797 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.411 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.67 151.18 52.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 72.2 110.886 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -67.07 -29.99 69.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 74.42 110.884 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.411 ' HB2' HD23 ' A' ' 26' ' ' LEU . 97.9 m-85 -86.6 -50.5 6.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.15 -0.477 . . . . 71.23 110.871 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.19 -40.8 82.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 61.12 111.098 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.49 10.29 3.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 72.24 111.077 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.62 140.02 33.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 62.44 110.887 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.08 113.68 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 65.14 110.842 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.01 133.09 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 71.52 111.176 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.892 -179.824 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.781 0.324 . . . . 73.21 110.941 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.65 -53.33 4.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 74.31 110.898 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.06 103.85 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 75.25 110.938 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -81.77 -172.98 4.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 74.25 110.967 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.409 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.5 mm -61.29 120.9 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.307 -0.406 . . . . 72.53 111.117 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.25 2.41 41.47 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 50.44 112.53 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -90.45 175.13 7.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.949 0.404 . . . . 72.23 110.839 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -103.29 142.17 34.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 65.33 110.855 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.3 145.77 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 62.05 110.84 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -88.26 -33.18 18.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 75.04 110.899 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.404 HG23 ' H ' ' A' ' 19' ' ' GLU . 16.8 m -134.64 175.97 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 52.25 111.1 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.72 -42.96 76.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 71.23 111.145 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.94 -33.77 62.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.85 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.404 ' H ' HG23 ' A' ' 16' ' ' VAL . 2.0 mm-40 -61.97 -31.7 72.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 72.44 110.902 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.69 127.25 36.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 53.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -29.19 68.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 32.03 110.906 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.1 t -84.02 -16.5 43.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 73.3 110.845 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt 64.57 46.48 3.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 71.41 110.913 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -130.01 32.77 4.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 72.42 110.863 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.08 151.14 22.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 43.43 110.849 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.409 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.66 151.18 52.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 72.2 110.948 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -67.07 -30.05 69.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 74.42 110.818 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.409 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.53 -50.55 6.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 71.23 110.931 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.12 -40.84 82.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 61.12 111.069 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.46 10.33 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.399 . . . . 72.24 111.067 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.57 140.01 33.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 62.44 110.931 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.02 113.79 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 65.14 110.902 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.26 133.12 65.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 71.52 111.126 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 75.31 110.812 -179.812 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.804 0.335 . . . . 73.21 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.74 -53.32 4.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.858 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.02 104.0 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.891 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -81.78 -172.7 4.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 74.25 110.856 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.408 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.7 mm -61.73 121.07 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 72.53 111.159 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.2 2.21 41.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.736 . . . . 50.44 112.47 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -90.22 175.35 7.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.902 0.382 . . . . 72.23 110.857 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -103.5 142.24 34.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 65.33 110.795 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.37 145.85 4.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 62.05 110.889 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -88.32 -33.24 18.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.484 . . . . 75.04 110.909 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 m -134.52 175.9 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 52.25 111.115 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.87 -42.81 76.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 71.23 111.096 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.88 -33.9 62.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 72.23 110.868 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -61.81 -31.91 72.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.883 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.63 127.23 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 53.0 110.826 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -29.13 67.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 32.03 110.946 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 t -84.01 -16.47 43.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 73.3 110.86 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt 64.51 46.56 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.055 -0.52 . . . . 71.41 110.977 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 mmt-85 -130.16 32.71 4.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 72.42 110.806 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.03 151.11 23.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 43.43 110.858 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.408 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.7 151.14 52.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 72.2 110.848 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -67.05 -29.99 69.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 74.42 110.9 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.408 ' HB2' HD23 ' A' ' 26' ' ' LEU . 97.9 m-85 -86.56 -50.54 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 71.23 110.926 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.16 -40.78 82.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 61.12 111.111 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.36 10.38 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 72.24 111.087 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.53 139.94 33.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 62.44 110.904 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.408 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.99 113.72 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 65.14 110.936 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.11 133.09 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 71.52 111.186 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 75.31 110.913 -179.818 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.779 0.323 . . . . 73.21 110.932 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.7 -53.32 4.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.882 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.06 103.95 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 75.25 110.889 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -81.78 -173.1 4.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.884 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.412 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.6 mm -61.27 120.88 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 72.53 111.164 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.27 2.41 41.4 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.716 -0.754 . . . . 50.44 112.461 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -90.48 175.14 7.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.947 0.403 . . . . 72.23 110.814 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -103.22 142.24 34.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 65.33 110.874 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.37 145.7 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 62.05 110.823 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -88.09 -33.28 18.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.516 . . . . 75.04 110.981 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 m -134.57 176.06 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.507 . . . . 52.25 111.112 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.94 -42.87 76.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 71.23 111.06 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.89 -33.91 62.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 72.23 110.767 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.84 -31.87 72.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 72.44 110.935 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.57 127.31 36.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 53.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -29.22 68.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 32.03 110.867 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.9 t -84.07 -16.46 43.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 73.3 110.826 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 64.56 46.3 3.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.884 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.77 32.71 4.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 72.42 110.818 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.03 151.11 23.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 43.43 110.936 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.413 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.62 151.17 52.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 72.2 110.896 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -67.08 -30.04 69.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.868 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.413 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.55 -50.5 6.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 71.23 110.915 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.23 -40.74 81.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 61.12 111.077 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.47 10.28 3.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 72.24 111.113 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.54 140.06 33.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 62.44 110.894 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.09 113.66 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 65.14 110.841 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.12 133.14 64.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 71.52 111.151 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 75.31 110.864 -179.9 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.834 0.35 . . . . 73.21 110.93 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.63 -53.35 4.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.895 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.1 103.95 1.29 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 75.25 110.973 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -81.72 -172.52 3.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 74.25 110.935 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.411 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.8 mm -61.82 121.37 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.317 -0.401 . . . . 72.53 111.117 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.82 2.12 42.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.806 -0.712 . . . . 50.44 112.512 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -89.91 175.47 7.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.883 0.373 . . . . 72.23 110.844 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -103.76 142.21 34.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 65.33 110.838 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.34 145.88 4.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 62.05 110.863 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -88.31 -33.14 18.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.934 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.457 HG22 ' OE1' ' A' ' 19' ' ' GLU . 10.0 m -134.66 175.82 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 52.25 111.172 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.78 -42.79 76.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 71.23 111.135 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -54.83 -33.9 62.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 72.23 110.922 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.457 ' OE1' HG22 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -61.88 -31.8 72.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.912 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.77 127.28 36.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 53.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -29.14 67.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 32.03 110.876 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.1 t -84.12 -16.45 43.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 73.3 110.816 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt 64.58 46.0 3.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 71.41 110.871 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.33 32.58 4.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.863 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.93 150.99 23.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 43.43 110.885 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.419 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.7 151.21 52.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 72.2 110.878 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -67.08 -29.84 69.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 74.42 110.95 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.419 ' HB2' HD23 ' A' ' 26' ' ' LEU . 97.9 m-85 -86.61 -50.61 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 71.23 110.864 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.23 -40.83 81.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 61.12 111.052 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.46 10.29 3.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 72.24 111.135 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.54 139.8 33.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 62.44 110.802 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.7 113.55 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 65.14 110.901 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -116.97 133.1 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 71.52 111.126 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 75.31 110.899 -179.881 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.836 0.35 . . . . 73.21 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.59 -53.31 4.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.31 110.877 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.07 104.18 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 75.25 110.874 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -81.55 -171.0 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.25 110.861 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.406 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.4 mm -63.34 121.74 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 72.53 111.118 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.55 2.13 43.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 50.44 112.551 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -89.59 176.35 6.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 72.23 110.881 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -104.9 141.62 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 65.33 110.883 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -166.86 145.97 5.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 62.05 110.852 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -88.21 -33.24 18.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 75.04 110.876 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.8 m -134.56 175.97 9.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 52.25 111.125 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.78 -42.71 77.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 71.23 111.166 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -54.91 -33.9 62.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.23 110.797 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.82 -31.82 72.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 72.44 110.941 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 127.31 36.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 53.0 110.812 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -29.08 68.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 32.03 110.874 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.04 -16.43 43.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 73.3 110.858 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt 64.54 45.59 3.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.072 -0.513 . . . . 71.41 110.893 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.89 32.68 4.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 72.42 110.891 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.09 151.13 22.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 43.43 110.834 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.405 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 12.3 tp -132.6 151.16 52.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 72.2 110.889 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -66.99 -30.19 70.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 74.42 110.902 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -86.68 -50.31 6.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 71.23 110.916 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.405 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . . . -68.14 -40.72 82.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 61.12 111.041 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.29 10.35 3.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 72.24 111.099 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.59 139.8 33.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 62.44 110.907 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.406 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.03 113.5 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 65.14 110.921 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -116.75 133.07 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 71.52 111.142 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 75.31 110.912 -179.889 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.904 0.383 . . . . 73.21 110.963 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.64 -53.38 4.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 74.31 110.88 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.5 103.81 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 75.25 110.903 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -81.87 -172.83 4.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 74.25 110.876 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.408 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.3 mm -61.5 121.19 9.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 72.53 111.095 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.05 2.3 42.03 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.744 -0.741 . . . . 50.44 112.539 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -90.32 175.15 7.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.835 0.35 . . . . 72.23 110.938 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -103.46 142.15 34.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 65.33 110.818 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.3 146.05 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 62.05 110.888 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -88.49 -33.38 17.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 75.04 110.9 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.1 m -134.29 175.8 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 52.25 111.111 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -42.85 76.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 71.23 111.136 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -54.85 -33.82 62.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.23 110.917 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.89 -31.77 72.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 72.44 110.906 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.82 127.35 36.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 53.0 110.83 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -29.27 68.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 32.03 110.947 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.9 t -83.92 -16.5 44.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 73.3 110.818 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt 64.48 46.51 3.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 71.41 110.937 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 mmt-85 -129.91 32.63 4.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 72.42 110.914 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.89 151.01 23.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 43.43 110.899 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.409 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.71 151.2 52.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 72.2 110.952 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -67.14 -29.95 69.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.904 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.409 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.5 -50.52 6.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 71.23 110.993 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.24 -40.73 81.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 61.12 111.115 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.52 10.28 3.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 72.24 111.095 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.58 139.95 33.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 62.44 110.832 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.408 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.91 113.57 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 65.14 110.902 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.08 133.13 64.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 71.52 111.076 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 75.31 110.816 -179.837 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.896 0.379 . . . . 73.21 110.937 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.72 -53.29 4.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.87 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.59 103.91 1.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 75.25 110.903 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -81.62 -171.33 3.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.25 110.95 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.407 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.3 mm -62.92 121.34 11.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 72.53 111.132 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.01 2.54 42.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.795 -0.717 . . . . 50.44 112.504 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -90.2 176.04 6.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.362 . . . . 72.23 110.886 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -104.55 141.97 35.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 65.33 110.799 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -167.17 146.0 5.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 62.05 110.922 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -88.39 -32.95 18.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 75.04 110.908 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.5 m -134.69 175.88 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 52.25 111.079 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.92 -42.85 76.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 71.23 111.043 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.88 -33.82 62.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 72.23 110.819 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.97 -31.79 72.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 72.44 110.868 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.74 127.29 36.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 53.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.78 -29.3 68.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 32.03 110.842 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.82 -16.44 44.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 73.3 110.913 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt 64.5 46.33 3.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.113 -0.494 . . . . 71.41 110.871 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -129.82 32.61 4.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 72.42 110.854 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.03 151.18 22.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 43.43 110.845 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.403 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.67 151.12 52.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 72.2 110.96 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -67.15 -30.02 69.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 74.42 110.926 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.403 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.1 m-85 -86.59 -50.48 6.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 71.23 110.888 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.11 -40.81 82.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 61.12 111.101 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.44 10.38 3.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 72.24 111.022 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.48 139.92 33.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 62.44 110.939 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.21 113.63 1.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 65.14 110.875 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.07 133.16 64.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 71.52 111.091 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.838 -179.852 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.855 0.36 . . . . 73.21 110.945 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.52 -53.4 4.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 74.31 110.958 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.48 103.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 75.25 110.964 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -81.84 -173.08 4.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.938 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.41 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.6 mm -61.21 120.87 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 72.53 111.13 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.4 2.39 41.02 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.753 -0.737 . . . . 50.44 112.495 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -90.44 174.86 7.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 72.23 110.943 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -103.07 142.19 34.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 65.33 110.886 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.31 145.92 4.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 62.05 110.814 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -88.46 -33.13 17.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.51 . . . . 75.04 110.947 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.1 m -134.6 175.81 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 52.25 111.088 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.91 -42.9 76.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 71.23 111.058 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -54.83 -33.86 62.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.875 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -31.86 72.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 72.44 110.882 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.69 127.32 36.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 53.0 110.812 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -29.28 68.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 32.03 110.879 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.3 t -83.91 -16.52 43.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 73.3 110.861 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt 64.54 46.32 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 71.41 110.898 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 mmt-85 -129.78 32.68 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 72.42 110.915 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.03 150.99 23.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 43.43 110.875 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.414 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.6 151.14 52.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 72.2 110.954 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -67.02 -30.08 70.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.42 110.871 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.414 ' HB2' HD23 ' A' ' 26' ' ' LEU . 97.9 m-85 -86.47 -50.53 6.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 71.23 110.96 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.22 -40.67 82.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 61.12 111.16 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.47 10.24 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 72.24 111.129 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.54 140.0 33.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 62.44 110.891 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.93 113.58 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 65.14 110.906 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.06 133.16 64.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 71.52 111.163 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.6 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 75.31 110.813 -179.871 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.863 0.363 . . . . 73.21 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.73 -53.38 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 74.31 110.833 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.51 103.98 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 75.25 110.901 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.63 -171.07 3.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 74.25 110.868 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.412 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.5 mm -63.26 121.4 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 72.53 111.105 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.91 2.67 42.54 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.714 -0.755 . . . . 50.44 112.486 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -90.29 176.3 6.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.884 0.374 . . . . 72.23 110.87 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -104.78 141.9 35.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 65.33 110.88 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -167.17 146.06 5.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 62.05 110.842 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -88.29 -33.07 18.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.887 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.9 m -134.68 175.98 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 52.25 111.136 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.96 -42.85 76.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 71.23 111.064 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -54.79 -33.88 61.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 72.23 110.868 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -31.84 72.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.456 . . . . 72.44 110.871 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.88 127.31 36.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 53.0 110.794 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -29.25 68.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 32.03 110.947 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.4 t -83.78 -16.53 44.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 73.3 110.847 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.54 46.22 3.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 71.41 110.909 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 mmt-85 -129.71 32.75 4.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 72.42 110.857 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.16 151.16 22.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 43.43 110.807 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.4 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.67 151.17 52.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 72.2 110.935 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -67.15 -30.02 69.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.869 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.4 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.63 -50.4 6.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 71.23 110.922 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.19 -40.76 82.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 61.12 111.143 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.39 10.3 3.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 72.24 111.129 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.42 139.89 33.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 62.44 110.884 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.04 113.45 1.02 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 65.14 110.913 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.0 133.11 64.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 71.52 111.123 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 75.31 110.845 -179.849 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.816 0.341 . . . . 73.21 110.945 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.65 -53.31 4.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.845 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.52 103.88 1.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.881 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.8 mtmt -81.9 -173.05 4.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 74.25 110.92 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.415 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.5 mm -61.27 120.91 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.415 . . . . 72.53 111.143 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.38 2.26 41.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 50.44 112.51 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -90.36 174.96 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.38 . . . . 72.23 110.857 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -103.19 142.24 34.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 65.33 110.869 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.38 145.91 4.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 62.05 110.903 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -88.35 -33.41 17.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 75.04 110.92 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.5 m -134.37 175.88 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 52.25 111.109 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.0 -42.74 76.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 71.23 111.085 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -54.9 -33.89 62.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 72.23 110.874 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -31.71 72.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.922 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.79 127.37 36.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 53.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -29.26 68.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 32.03 110.853 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.6 t -83.85 -16.59 43.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 73.3 110.908 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt 64.49 46.5 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 71.41 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.96 32.74 4.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.785 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.05 150.97 23.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 43.43 110.792 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.412 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.58 151.18 52.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 72.2 110.99 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -67.1 -29.99 69.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.891 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.412 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.54 -50.48 6.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 71.23 110.941 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.21 -40.83 82.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 61.12 111.036 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.5 10.35 3.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 72.24 111.08 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.57 140.08 33.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 62.44 110.911 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.415 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.08 113.68 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 65.14 110.906 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.18 133.09 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 71.52 111.148 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.6 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.817 -179.804 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.811 0.338 . . . . 73.21 110.923 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.64 -53.33 4.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 74.31 110.867 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.54 103.8 1.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 75.25 110.939 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.77 -172.69 4.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 74.25 110.873 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.412 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.7 mm -61.65 121.06 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 72.53 111.163 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.3 2.41 41.32 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.725 -0.75 . . . . 50.44 112.443 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -90.45 175.07 7.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.813 0.34 . . . . 72.23 110.956 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -103.35 142.19 34.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 65.33 110.887 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.35 145.89 4.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 62.05 110.875 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -88.34 -33.16 18.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 75.04 110.945 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.7 m -134.58 175.75 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.514 . . . . 52.25 111.093 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.8 -42.89 76.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 71.23 111.138 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.87 -33.84 62.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 72.23 110.852 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.88 -31.75 72.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 72.44 110.943 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.82 127.29 36.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 53.0 110.826 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.73 -29.33 68.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 32.03 110.936 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.81 -16.57 44.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 73.3 110.787 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.54 46.49 3.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 71.41 110.855 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -129.97 32.7 4.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 72.42 110.877 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.01 151.02 23.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 43.43 110.847 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.409 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.63 151.27 52.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 72.2 110.903 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -67.22 -29.93 69.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.887 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.409 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.54 -50.59 6.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 71.23 110.884 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.11 -40.74 82.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 61.12 111.124 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.45 10.37 3.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 72.24 111.113 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.64 140.03 33.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 62.44 110.838 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.0 113.59 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 65.14 110.905 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.07 133.17 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 71.52 111.147 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 75.31 110.835 -179.867 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.801 0.334 . . . . 73.21 110.923 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.68 -53.29 4.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 74.31 110.922 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.58 103.95 1.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 75.25 110.863 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.66 -170.93 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 74.25 110.889 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.414 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.5 mm -63.33 121.57 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 72.53 111.156 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.75 2.58 43.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.748 . . . . 50.44 112.503 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -90.15 176.22 6.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 72.23 110.9 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -104.82 141.84 35.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 65.33 110.815 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -167.07 146.06 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 62.05 110.882 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -88.18 -33.3 18.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 75.04 110.921 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.44 HG23 ' H ' ' A' ' 19' ' ' GLU . 28.0 m -134.53 176.07 9.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 52.25 111.109 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.95 -42.78 76.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 71.23 111.069 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -55.0 -33.78 62.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 72.23 110.875 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.44 ' H ' HG23 ' A' ' 16' ' ' VAL . 7.8 mm-40 -61.82 -31.83 72.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.858 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.86 127.28 36.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 53.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -29.48 68.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 32.03 110.929 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -83.61 -16.53 44.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 73.3 110.917 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.56 46.31 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 71.41 110.948 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -129.77 32.71 4.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 72.42 110.937 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.0 151.12 23.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 43.43 110.849 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.403 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.68 151.23 52.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 72.2 110.877 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -67.06 -30.21 70.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 74.42 110.9 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.403 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.1 m-85 -86.51 -50.52 6.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 71.23 110.888 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.13 -40.7 82.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 61.12 111.128 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.35 10.25 3.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 72.24 111.127 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.45 139.88 33.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 62.44 110.902 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.414 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.06 113.53 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 65.14 110.896 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -116.92 133.02 64.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 71.52 111.14 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 75.31 110.8 -179.84 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.843 0.354 . . . . 73.21 110.935 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.69 -53.24 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.929 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.66 103.97 1.38 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 75.25 110.84 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.58 -171.05 3.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.903 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.416 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.5 mm -63.34 121.51 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 72.53 111.115 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.89 2.65 42.63 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.737 -0.744 . . . . 50.44 112.468 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -90.23 176.13 6.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 72.23 110.857 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -104.69 141.76 35.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 65.33 110.794 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -166.98 146.02 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 62.05 110.87 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -88.25 -33.18 18.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 75.04 110.954 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 m -134.5 175.95 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 52.25 111.139 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.98 -42.79 76.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 71.23 111.083 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -54.9 -33.78 62.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.925 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -31.8 72.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 72.44 110.962 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.89 127.35 36.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 53.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -29.41 68.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 32.03 110.867 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.3 t -83.68 -16.56 44.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 73.3 110.867 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm 64.56 46.35 3.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 71.41 110.923 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -129.82 32.59 4.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 72.42 110.877 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.95 151.14 23.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 43.43 110.88 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.402 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.67 151.2 52.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 72.2 110.864 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -67.08 -30.2 70.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 74.42 110.859 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.402 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.53 -50.47 6.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 71.23 110.964 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.11 -40.74 82.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 61.12 111.133 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.32 10.37 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 72.24 111.144 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.57 139.76 33.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 62.44 110.91 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.416 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.93 113.44 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 65.14 110.871 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -116.97 133.02 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 71.52 111.165 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 75.31 110.862 -179.818 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.805 0.336 . . . . 73.21 110.957 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.66 -53.29 4.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.931 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.54 103.93 1.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 75.25 110.898 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.54 -171.02 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 74.25 110.937 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.408 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.3 mm -63.26 121.4 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 72.53 111.127 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.89 2.75 42.64 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 50.44 112.476 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -90.32 176.18 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.881 0.372 . . . . 72.23 110.931 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -104.67 141.94 35.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 65.33 110.889 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -167.18 146.04 5.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 62.05 110.869 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -88.32 -33.0 18.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 75.04 110.948 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.3 m -134.74 175.87 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 52.25 111.114 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.8 -42.81 76.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 71.23 111.143 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -54.92 -33.79 62.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 72.23 110.847 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -31.87 72.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.859 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.85 127.4 36.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 53.0 110.812 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.84 -29.3 68.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 32.03 110.861 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -83.76 -16.59 44.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 73.3 110.848 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt 64.57 46.24 3.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 71.41 110.882 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mmt-85 -129.69 32.62 4.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 72.42 110.896 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.99 151.07 23.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 43.43 110.844 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.4 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.68 151.17 52.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 72.2 110.911 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -67.04 -30.13 70.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 74.42 110.889 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.4 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.1 m-85 -86.58 -50.48 6.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 71.23 110.843 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.2 -40.68 82.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 61.12 111.102 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.39 10.32 3.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 72.24 111.081 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.46 139.84 33.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 62.44 110.872 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.408 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.03 113.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 65.14 110.868 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -116.99 133.07 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 71.52 111.122 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.836 -179.843 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.88 0.371 . . . . 73.21 110.843 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.62 -53.31 4.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.881 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.54 103.81 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 75.25 110.893 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -81.87 -173.03 4.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.868 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.408 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.5 mm -61.45 121.18 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 72.53 111.082 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.19 2.2 41.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 50.44 112.549 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -90.33 175.06 7.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.973 0.416 . . . . 72.23 110.803 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -103.29 142.17 34.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.073 -0.512 . . . . 65.33 110.888 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.27 145.93 4.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.268 -0.423 . . . . 62.05 110.907 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -88.39 -33.24 17.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 75.04 110.971 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.6 m -134.47 175.85 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 52.25 111.126 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -42.81 76.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 71.23 111.141 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.95 -33.82 62.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 72.23 110.877 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.89 -31.79 72.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 72.44 110.897 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.74 127.34 36.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 53.0 110.809 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.78 -29.37 68.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 32.03 110.831 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.0 t -83.89 -16.51 44.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.3 110.79 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt 64.53 46.49 3.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 71.41 110.914 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.0 mmt-85 -129.95 32.66 4.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 72.42 110.836 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.95 150.95 23.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 43.43 110.923 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.412 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.65 151.23 52.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 72.2 110.847 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -67.1 -30.05 69.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 74.42 110.874 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.412 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.49 -50.49 6.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 71.23 110.963 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.21 -40.84 82.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 61.12 111.03 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.5 10.33 3.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 72.24 111.037 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.52 139.98 33.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 62.44 110.899 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.408 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.94 113.62 1.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 65.14 110.904 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.13 133.09 64.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 71.52 111.111 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.843 -179.848 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.859 0.362 . . . . 73.21 110.832 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.6 -53.34 4.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 74.31 110.871 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.55 103.79 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 75.25 110.864 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -81.77 -172.94 4.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 74.25 110.855 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.409 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.3 mm -61.44 121.27 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 72.53 111.134 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.04 2.16 42.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 50.44 112.468 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -90.08 174.95 7.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 72.23 110.838 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -103.24 142.42 34.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.105 -0.498 . . . . 65.33 110.812 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.8 p -167.6 146.03 4.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 62.05 110.894 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -88.61 -33.23 17.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 75.04 110.877 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.5 m -134.32 175.73 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 52.25 111.103 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.85 -42.83 76.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 71.23 111.13 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -54.93 -33.87 62.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.854 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -31.88 72.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.871 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.72 127.29 36.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 53.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.65 -29.51 68.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 32.03 110.914 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.7 t -83.72 -16.56 44.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 73.3 110.842 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt 64.57 46.63 3.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 71.41 110.892 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.7 mmt-85 -130.14 32.66 4.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 72.42 110.867 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.94 150.99 23.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 43.43 110.933 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.412 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.64 151.21 52.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 72.2 110.878 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -67.06 -30.06 70.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.907 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.412 ' HB2' HD23 ' A' ' 26' ' ' LEU . 97.9 m-85 -86.46 -50.59 6.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 71.23 110.882 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.24 -40.68 81.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 61.12 111.094 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.45 10.24 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 72.24 111.112 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.52 140.04 33.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 62.44 110.89 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.98 113.61 1.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 65.14 110.887 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.06 133.03 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 71.52 111.154 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 75.31 110.845 -179.862 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.861 0.363 . . . . 74.52 110.825 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -140.6 99.62 3.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 63.52 110.942 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.43 139.17 38.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 73.52 110.877 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.96 92.22 3.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 73.35 110.949 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -128.0 126.89 42.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 62.22 110.819 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -133.18 134.9 44.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 73.21 110.842 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.72 -53.28 4.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.859 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.14 103.92 1.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.925 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -81.79 -172.89 4.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 74.25 110.897 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.411 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.6 mm -61.44 121.1 8.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.425 . . . . 72.53 111.122 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.0 2.34 42.18 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.786 -0.721 . . . . 50.44 112.473 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -90.29 175.13 7.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.88 0.372 . . . . 72.23 110.873 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -103.28 142.34 34.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 65.33 110.809 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.41 145.78 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 62.05 110.894 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -88.35 -33.15 18.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 75.04 110.944 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.9 m -134.59 175.89 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 52.25 111.195 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -42.77 76.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 71.23 111.088 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.94 -33.81 62.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 72.23 110.858 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -61.95 -31.83 72.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 72.44 110.874 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.62 127.19 36.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 53.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.72 -29.33 68.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 32.03 110.888 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.1 t -83.88 -16.44 44.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 73.3 110.885 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt 64.54 46.41 3.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 71.41 110.92 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.86 32.64 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 72.42 110.849 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.0 151.08 23.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 43.43 110.847 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.414 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.64 151.21 52.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 72.2 110.92 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -67.11 -29.96 69.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 74.42 110.9 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.414 ' HB2' HD23 ' A' ' 26' ' ' LEU . 97.9 m-85 -86.6 -50.51 6.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 71.23 110.921 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.21 -40.74 82.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 61.12 111.103 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.51 10.25 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 72.24 111.066 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.57 139.99 33.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 62.44 110.844 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.97 113.6 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 65.14 110.869 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.01 133.1 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 71.52 111.187 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.838 -179.798 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.769 0.319 . . . . 74.52 110.91 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -66.15 176.5 1.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 63.52 110.954 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -148.46 46.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 73.52 110.932 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 57.98 95.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 73.35 110.941 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -67.49 138.3 56.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 62.22 110.907 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -97.39 178.63 5.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 73.21 110.939 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.7 -53.26 4.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 74.31 110.896 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.1 103.86 1.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 75.25 110.913 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -81.73 -172.96 4.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 74.25 110.92 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.413 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.8 mm -61.47 120.99 8.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 72.53 111.15 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.23 2.25 41.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 50.44 112.5 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -90.28 175.11 7.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.761 0.315 . . . . 72.23 110.927 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -103.22 142.32 34.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 65.33 110.888 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.38 145.77 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 62.05 110.898 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -88.33 -33.21 18.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 75.04 110.884 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 m -134.58 175.91 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 52.25 111.109 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.83 -42.89 76.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 71.23 111.069 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -54.85 -33.89 62.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 72.23 110.853 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.79 -31.91 72.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 72.44 110.908 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.65 127.28 36.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 53.0 110.804 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -29.28 68.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 32.03 110.785 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.8 t -83.98 -16.44 44.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 73.3 110.861 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt 64.55 46.3 3.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 71.41 110.943 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -129.75 32.68 4.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 72.42 110.89 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.01 151.07 23.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 43.43 110.903 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.411 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.67 151.22 52.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 72.2 110.908 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -67.11 -30.0 69.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.925 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.411 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.51 -50.51 6.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 71.23 110.978 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.18 -40.77 82.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 61.12 111.104 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.48 10.28 3.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 72.24 111.047 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.56 140.05 33.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.42 . . . . 62.44 110.89 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.413 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.94 113.64 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 65.14 110.9 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.11 133.16 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 71.52 111.167 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 75.31 110.866 -179.88 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.804 0.335 . . . . 74.52 110.921 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -121.1 39.0 3.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 63.52 110.878 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -160.43 48.1 0.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 73.52 110.912 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -125.48 80.02 1.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 73.35 110.916 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -96.51 112.56 24.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 62.22 110.879 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.6 pm0 -72.71 148.49 44.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.861 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.61 -53.33 4.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.955 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.05 103.92 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 75.25 110.931 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -81.89 -172.94 4.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 74.25 110.927 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.407 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.6 mm -61.36 121.06 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 72.53 111.09 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.08 2.3 41.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 50.44 112.504 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -90.28 174.97 7.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 72.23 110.878 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -103.17 142.33 34.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 65.33 110.815 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.42 145.75 4.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 62.05 110.857 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -88.27 -33.29 18.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 75.04 110.983 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.6 m -134.49 175.91 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 52.25 111.119 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.86 -42.81 76.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 71.23 111.112 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -33.88 62.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.853 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.83 -31.83 72.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 72.44 110.971 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.68 127.17 36.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 53.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.67 -29.38 68.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 32.03 110.912 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.2 t -83.85 -16.53 44.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 73.3 110.816 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt 64.58 46.38 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 71.41 110.906 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -129.84 32.74 4.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 72.42 110.841 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.02 151.02 23.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 43.43 110.921 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.417 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.65 151.18 52.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 72.2 110.868 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -67.17 -29.95 69.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 74.42 110.848 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.417 ' HB2' HD23 ' A' ' 26' ' ' LEU . 97.9 m-85 -86.53 -50.52 6.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 71.23 110.933 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.23 -40.79 81.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 61.12 111.125 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.47 10.29 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 72.24 111.141 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.56 140.04 33.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 62.44 110.906 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.9 113.63 1.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 65.14 110.903 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.04 133.12 64.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 71.52 111.101 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 75.31 110.908 -179.888 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.826 0.346 . . . . 74.52 110.842 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -135.84 -64.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 63.52 110.867 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -118.62 47.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 73.52 110.872 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -72.72 124.08 24.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 73.35 110.937 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 63.28 104.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 62.22 110.901 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -71.53 177.24 4.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 73.21 110.867 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.58 -53.38 4.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.925 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.04 103.95 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 75.25 110.945 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -81.83 -172.86 4.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.877 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.412 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.6 mm -61.46 121.03 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 72.53 111.157 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.15 2.15 41.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 50.44 112.494 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -90.14 175.14 7.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 72.23 110.928 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -103.27 142.31 34.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 65.33 110.85 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.48 145.86 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 62.05 110.853 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -88.41 -33.25 17.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 75.04 110.914 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.0 m -134.43 175.89 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 52.25 111.131 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.89 -42.75 76.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 71.23 111.135 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.91 -33.88 62.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 72.23 110.843 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -61.96 -31.73 72.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 72.44 110.878 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.75 127.3 36.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 53.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -29.28 68.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 32.03 110.866 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.9 -16.51 44.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 73.3 110.858 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt 64.58 46.32 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.856 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 mmt-85 -129.77 32.71 4.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 72.42 110.866 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.06 151.08 23.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 43.43 110.797 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.411 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.67 151.18 52.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 72.2 110.886 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -67.07 -29.99 69.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 74.42 110.884 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.411 ' HB2' HD23 ' A' ' 26' ' ' LEU . 97.9 m-85 -86.6 -50.5 6.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.15 -0.477 . . . . 71.23 110.871 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.19 -40.8 82.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 61.12 111.098 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.49 10.29 3.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 72.24 111.077 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.62 140.02 33.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 62.44 110.887 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.08 113.68 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 65.14 110.842 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.01 133.09 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 71.52 111.176 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.892 -179.824 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.778 0.323 . . . . 74.52 110.869 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -163.89 -64.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 63.52 110.905 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -84.62 160.36 20.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 73.52 110.912 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 62.57 99.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.844 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -96.65 38.97 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 62.22 110.89 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 53.62 -173.24 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.941 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.65 -53.33 4.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 74.31 110.898 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.06 103.85 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 75.25 110.938 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -81.77 -172.98 4.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 74.25 110.967 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.409 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.5 mm -61.29 120.9 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.307 -0.406 . . . . 72.53 111.117 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.25 2.41 41.47 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 50.44 112.53 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -90.45 175.13 7.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.949 0.404 . . . . 72.23 110.839 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -103.29 142.17 34.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 65.33 110.855 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.3 145.77 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 62.05 110.84 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -88.26 -33.18 18.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 75.04 110.899 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.404 HG23 ' H ' ' A' ' 19' ' ' GLU . 16.8 m -134.64 175.97 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 52.25 111.1 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.72 -42.96 76.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 71.23 111.145 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.94 -33.77 62.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.85 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.404 ' H ' HG23 ' A' ' 16' ' ' VAL . 2.0 mm-40 -61.97 -31.7 72.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 72.44 110.902 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.69 127.25 36.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 53.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -29.19 68.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 32.03 110.906 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.1 t -84.02 -16.5 43.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 73.3 110.845 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt 64.57 46.48 3.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 71.41 110.913 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -130.01 32.77 4.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 72.42 110.863 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.08 151.14 22.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 43.43 110.849 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.409 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.66 151.18 52.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 72.2 110.948 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -67.07 -30.05 69.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 74.42 110.818 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.409 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.53 -50.55 6.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 71.23 110.931 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.12 -40.84 82.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 61.12 111.069 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.46 10.33 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.399 . . . . 72.24 111.067 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.57 140.01 33.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 62.44 110.931 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.02 113.79 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 65.14 110.902 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.26 133.12 65.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 71.52 111.126 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 75.31 110.812 -179.812 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.762 0.315 . . . . 74.52 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -86.28 -68.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 63.52 110.914 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -139.51 148.68 42.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 73.52 110.883 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -170.52 149.1 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 73.35 110.928 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 63.19 104.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 62.22 110.918 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -81.08 156.27 25.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 73.21 110.907 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.74 -53.32 4.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.858 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.02 104.0 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.891 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -81.78 -172.7 4.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 74.25 110.856 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.408 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.7 mm -61.73 121.07 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 72.53 111.159 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.2 2.21 41.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.736 . . . . 50.44 112.47 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -90.22 175.35 7.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.902 0.382 . . . . 72.23 110.857 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -103.5 142.24 34.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 65.33 110.795 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.37 145.85 4.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 62.05 110.889 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -88.32 -33.24 18.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.484 . . . . 75.04 110.909 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 m -134.52 175.9 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 52.25 111.115 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.87 -42.81 76.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 71.23 111.096 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.88 -33.9 62.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 72.23 110.868 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -61.81 -31.91 72.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.883 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.63 127.23 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 53.0 110.826 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -29.13 67.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 32.03 110.946 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 t -84.01 -16.47 43.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 73.3 110.86 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt 64.51 46.56 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.055 -0.52 . . . . 71.41 110.977 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 mmt-85 -130.16 32.71 4.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 72.42 110.806 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.03 151.11 23.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 43.43 110.858 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.408 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.7 151.14 52.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 72.2 110.848 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -67.05 -29.99 69.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 74.42 110.9 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.408 ' HB2' HD23 ' A' ' 26' ' ' LEU . 97.9 m-85 -86.56 -50.54 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 71.23 110.926 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.16 -40.78 82.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 61.12 111.111 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.36 10.38 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 72.24 111.087 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.53 139.94 33.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 62.44 110.904 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.408 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.99 113.72 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 65.14 110.936 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.11 133.09 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 71.52 111.186 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 75.31 110.913 -179.818 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.4 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.869 0.366 . . . . 74.52 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -122.1 132.57 54.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 63.52 110.887 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -154.75 52.56 0.64 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.45 . . . . 73.52 110.839 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -116.22 118.05 31.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 73.35 110.908 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.45 37.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 62.22 110.894 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 53.72 -173.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 73.21 110.932 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.7 -53.32 4.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.882 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.06 103.95 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 75.25 110.889 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -81.78 -173.1 4.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.884 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.412 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.6 mm -61.27 120.88 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 72.53 111.164 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.27 2.41 41.4 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.716 -0.754 . . . . 50.44 112.461 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -90.48 175.14 7.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.947 0.403 . . . . 72.23 110.814 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -103.22 142.24 34.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 65.33 110.874 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.37 145.7 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 62.05 110.823 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -88.09 -33.28 18.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.516 . . . . 75.04 110.981 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 m -134.57 176.06 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.507 . . . . 52.25 111.112 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.94 -42.87 76.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 71.23 111.06 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.89 -33.91 62.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 72.23 110.767 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.84 -31.87 72.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 72.44 110.935 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.57 127.31 36.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 53.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -29.22 68.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 32.03 110.867 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.9 t -84.07 -16.46 43.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 73.3 110.826 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 64.56 46.3 3.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.884 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.77 32.71 4.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 72.42 110.818 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.03 151.11 23.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 43.43 110.936 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.413 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.62 151.17 52.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 72.2 110.896 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -67.08 -30.04 69.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.868 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.413 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.55 -50.5 6.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 71.23 110.915 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.23 -40.74 81.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 61.12 111.077 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.47 10.28 3.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 72.24 111.113 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.54 140.06 33.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 62.44 110.894 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.09 113.66 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 65.14 110.841 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.12 133.14 64.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 71.52 111.151 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 75.31 110.864 -179.9 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.839 0.352 . . . . 74.52 110.878 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -144.99 173.0 12.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 63.52 110.892 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -148.17 152.67 37.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 73.52 110.923 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -143.98 96.99 2.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 73.35 110.917 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.4 ttm-85 -88.81 138.08 31.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 62.22 110.84 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -125.02 139.43 53.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.93 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.63 -53.35 4.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.895 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.1 103.95 1.29 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 75.25 110.973 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -81.72 -172.52 3.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 74.25 110.935 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.411 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.8 mm -61.82 121.37 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.317 -0.401 . . . . 72.53 111.117 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.82 2.12 42.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.806 -0.712 . . . . 50.44 112.512 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -89.91 175.47 7.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.883 0.373 . . . . 72.23 110.844 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -103.76 142.21 34.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 65.33 110.838 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.34 145.88 4.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 62.05 110.863 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -88.31 -33.14 18.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.934 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.457 HG22 ' OE1' ' A' ' 19' ' ' GLU . 10.0 m -134.66 175.82 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 52.25 111.172 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.78 -42.79 76.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 71.23 111.135 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -54.83 -33.9 62.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 72.23 110.922 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.457 ' OE1' HG22 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -61.88 -31.8 72.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.912 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.77 127.28 36.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 53.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -29.14 67.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 32.03 110.876 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.1 t -84.12 -16.45 43.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 73.3 110.816 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt 64.58 46.0 3.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 71.41 110.871 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.33 32.58 4.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.863 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.93 150.99 23.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 43.43 110.885 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.419 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.7 151.21 52.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 72.2 110.878 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -67.08 -29.84 69.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 74.42 110.95 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.419 ' HB2' HD23 ' A' ' 26' ' ' LEU . 97.9 m-85 -86.61 -50.61 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 71.23 110.864 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.23 -40.83 81.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 61.12 111.052 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.46 10.29 3.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 72.24 111.135 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.54 139.8 33.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 62.44 110.802 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.7 113.55 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 65.14 110.901 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -116.97 133.1 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 71.52 111.126 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 75.31 110.899 -179.881 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 72.4 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.799 0.333 . . . . 74.52 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 59.35 38.84 22.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 63.52 110.92 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -133.23 -178.26 4.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 73.52 110.851 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -147.01 93.57 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 73.35 110.97 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -65.34 112.42 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 62.22 110.857 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -73.4 -173.11 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 73.21 110.877 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.59 -53.31 4.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.31 110.877 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.07 104.18 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 75.25 110.874 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -81.55 -171.0 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.25 110.861 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.406 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.4 mm -63.34 121.74 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 72.53 111.118 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.55 2.13 43.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 50.44 112.551 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -89.59 176.35 6.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 72.23 110.881 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -104.9 141.62 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 65.33 110.883 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -166.86 145.97 5.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 62.05 110.852 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -88.21 -33.24 18.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 75.04 110.876 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.8 m -134.56 175.97 9.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 52.25 111.125 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.78 -42.71 77.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 71.23 111.166 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -54.91 -33.9 62.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.23 110.797 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.82 -31.82 72.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 72.44 110.941 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 127.31 36.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 53.0 110.812 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -29.08 68.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 32.03 110.874 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.04 -16.43 43.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 73.3 110.858 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt 64.54 45.59 3.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.072 -0.513 . . . . 71.41 110.893 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.89 32.68 4.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 72.42 110.891 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.09 151.13 22.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 43.43 110.834 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.405 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 12.3 tp -132.6 151.16 52.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 72.2 110.889 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -66.99 -30.19 70.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 74.42 110.902 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -86.68 -50.31 6.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 71.23 110.916 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.405 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . . . -68.14 -40.72 82.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 61.12 111.041 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.29 10.35 3.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 72.24 111.099 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.59 139.8 33.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 62.44 110.907 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.406 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.03 113.5 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 65.14 110.921 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -116.75 133.07 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 71.52 111.142 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 75.31 110.912 -179.889 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.819 0.342 . . . . 74.52 110.901 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -99.71 163.09 12.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 63.52 110.907 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.24 160.8 17.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 73.52 110.865 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 59.33 96.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 73.35 110.85 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -65.4 142.64 58.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 62.22 110.809 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -80.47 177.5 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 73.21 110.963 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.64 -53.38 4.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 74.31 110.88 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.5 103.81 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 75.25 110.903 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -81.87 -172.83 4.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 74.25 110.876 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.408 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.3 mm -61.5 121.19 9.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 72.53 111.095 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.05 2.3 42.03 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.744 -0.741 . . . . 50.44 112.539 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -90.32 175.15 7.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.835 0.35 . . . . 72.23 110.938 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -103.46 142.15 34.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 65.33 110.818 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.3 146.05 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 62.05 110.888 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -88.49 -33.38 17.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 75.04 110.9 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.1 m -134.29 175.8 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 52.25 111.111 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -42.85 76.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 71.23 111.136 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -54.85 -33.82 62.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.23 110.917 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.89 -31.77 72.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 72.44 110.906 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.82 127.35 36.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 53.0 110.83 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -29.27 68.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 32.03 110.947 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.9 t -83.92 -16.5 44.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 73.3 110.818 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt 64.48 46.51 3.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 71.41 110.937 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 mmt-85 -129.91 32.63 4.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 72.42 110.914 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.89 151.01 23.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 43.43 110.899 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.409 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.71 151.2 52.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 72.2 110.952 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -67.14 -29.95 69.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.904 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.409 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.5 -50.52 6.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 71.23 110.993 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.24 -40.73 81.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 61.12 111.115 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.52 10.28 3.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 72.24 111.095 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.58 139.95 33.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 62.44 110.832 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.408 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.91 113.57 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 65.14 110.902 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.08 133.13 64.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 71.52 111.076 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 75.31 110.816 -179.837 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.805 0.335 . . . . 74.52 110.877 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -162.71 119.65 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 63.52 110.949 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.62 149.8 29.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 73.52 110.876 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 59.23 94.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 73.35 110.85 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -97.06 104.98 17.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 62.22 110.913 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -94.89 177.51 5.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 73.21 110.937 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.72 -53.29 4.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.87 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.59 103.91 1.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 75.25 110.903 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -81.62 -171.33 3.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.25 110.95 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.407 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.3 mm -62.92 121.34 11.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 72.53 111.132 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.01 2.54 42.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.795 -0.717 . . . . 50.44 112.504 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -90.2 176.04 6.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.362 . . . . 72.23 110.886 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -104.55 141.97 35.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 65.33 110.799 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -167.17 146.0 5.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 62.05 110.922 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -88.39 -32.95 18.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 75.04 110.908 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.5 m -134.69 175.88 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 52.25 111.079 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.92 -42.85 76.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 71.23 111.043 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.88 -33.82 62.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 72.23 110.819 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.97 -31.79 72.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 72.44 110.868 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.74 127.29 36.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 53.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.78 -29.3 68.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 32.03 110.842 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.82 -16.44 44.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 73.3 110.913 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt 64.5 46.33 3.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.113 -0.494 . . . . 71.41 110.871 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -129.82 32.61 4.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 72.42 110.854 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.03 151.18 22.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 43.43 110.845 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.403 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.67 151.12 52.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 72.2 110.96 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -67.15 -30.02 69.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 74.42 110.926 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.403 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.1 m-85 -86.59 -50.48 6.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 71.23 110.888 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.11 -40.81 82.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 61.12 111.101 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.44 10.38 3.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 72.24 111.022 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.48 139.92 33.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 62.44 110.939 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.21 113.63 1.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 65.14 110.875 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.07 133.16 64.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 71.52 111.091 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.838 -179.852 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.776 0.322 . . . . 74.52 110.928 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -131.79 143.93 50.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 63.52 110.944 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.08 160.71 27.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 73.52 110.828 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -170.31 40.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 73.35 110.899 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -100.99 39.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 62.22 110.81 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -77.96 159.95 28.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 73.21 110.945 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.52 -53.4 4.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 74.31 110.958 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.48 103.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 75.25 110.964 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -81.84 -173.08 4.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.938 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.41 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.6 mm -61.21 120.87 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 72.53 111.13 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.4 2.39 41.02 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.753 -0.737 . . . . 50.44 112.495 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -90.44 174.86 7.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 72.23 110.943 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -103.07 142.19 34.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 65.33 110.886 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.31 145.92 4.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 62.05 110.814 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -88.46 -33.13 17.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.51 . . . . 75.04 110.947 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.1 m -134.6 175.81 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 52.25 111.088 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.91 -42.9 76.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 71.23 111.058 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -54.83 -33.86 62.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.875 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -31.86 72.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 72.44 110.882 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.69 127.32 36.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 53.0 110.812 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -29.28 68.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 32.03 110.879 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.3 t -83.91 -16.52 43.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 73.3 110.861 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt 64.54 46.32 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 71.41 110.898 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 mmt-85 -129.78 32.68 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 72.42 110.915 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.03 150.99 23.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 43.43 110.875 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.414 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.6 151.14 52.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 72.2 110.954 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -67.02 -30.08 70.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.42 110.871 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.414 ' HB2' HD23 ' A' ' 26' ' ' LEU . 97.9 m-85 -86.47 -50.53 6.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 71.23 110.96 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.22 -40.67 82.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 61.12 111.16 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.47 10.24 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 72.24 111.129 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.54 140.0 33.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 62.44 110.891 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.93 113.58 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 65.14 110.906 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.06 133.16 64.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 71.52 111.163 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.6 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 75.31 110.813 -179.871 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.814 0.34 . . . . 74.52 110.928 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.28 -178.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 63.52 110.909 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -163.54 127.89 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 73.52 110.929 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -137.35 169.94 16.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 73.35 110.904 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.1 ttm-85 63.24 104.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 62.22 110.89 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.47 163.68 8.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 73.21 110.908 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.73 -53.38 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 74.31 110.833 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.51 103.98 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 75.25 110.901 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.63 -171.07 3.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 74.25 110.868 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.412 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.5 mm -63.26 121.4 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 72.53 111.105 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.91 2.67 42.54 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.714 -0.755 . . . . 50.44 112.486 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -90.29 176.3 6.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.884 0.374 . . . . 72.23 110.87 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -104.78 141.9 35.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 65.33 110.88 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -167.17 146.06 5.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 62.05 110.842 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -88.29 -33.07 18.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.887 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.9 m -134.68 175.98 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 52.25 111.136 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.96 -42.85 76.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 71.23 111.064 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -54.79 -33.88 61.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 72.23 110.868 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -31.84 72.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.456 . . . . 72.44 110.871 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.88 127.31 36.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 53.0 110.794 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -29.25 68.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 32.03 110.947 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.4 t -83.78 -16.53 44.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 73.3 110.847 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.54 46.22 3.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 71.41 110.909 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 mmt-85 -129.71 32.75 4.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 72.42 110.857 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.16 151.16 22.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 43.43 110.807 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.4 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.67 151.17 52.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 72.2 110.935 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -67.15 -30.02 69.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.869 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.4 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.63 -50.4 6.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 71.23 110.922 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.19 -40.76 82.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 61.12 111.143 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.39 10.3 3.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 72.24 111.129 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.42 139.89 33.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 62.44 110.884 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.04 113.45 1.02 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 65.14 110.913 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.0 133.11 64.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 71.52 111.123 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 75.31 110.845 -179.849 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.815 0.341 . . . . 74.52 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.04 -50.31 9.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 63.52 110.857 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -65.55 147.31 53.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 73.52 110.878 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -150.41 56.82 0.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 73.35 110.872 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 ttm-85 -98.92 39.53 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 62.22 110.882 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -105.78 146.51 29.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 73.21 110.945 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.65 -53.31 4.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.845 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.52 103.88 1.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.881 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.8 mtmt -81.9 -173.05 4.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 74.25 110.92 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.415 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.5 mm -61.27 120.91 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.415 . . . . 72.53 111.143 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.38 2.26 41.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 50.44 112.51 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -90.36 174.96 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.38 . . . . 72.23 110.857 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -103.19 142.24 34.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 65.33 110.869 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.38 145.91 4.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 62.05 110.903 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -88.35 -33.41 17.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 75.04 110.92 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.5 m -134.37 175.88 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 52.25 111.109 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.0 -42.74 76.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 71.23 111.085 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -54.9 -33.89 62.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 72.23 110.874 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -31.71 72.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.922 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.79 127.37 36.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 53.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -29.26 68.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 32.03 110.853 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.6 t -83.85 -16.59 43.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 73.3 110.908 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt 64.49 46.5 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 71.41 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.96 32.74 4.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.785 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.05 150.97 23.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 43.43 110.792 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.412 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.58 151.18 52.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 72.2 110.99 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -67.1 -29.99 69.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.891 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.412 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.54 -50.48 6.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 71.23 110.941 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.21 -40.83 82.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 61.12 111.036 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.5 10.35 3.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 72.24 111.08 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.57 140.08 33.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 62.44 110.911 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.415 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.08 113.68 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 65.14 110.906 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.18 133.09 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 71.52 111.148 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.6 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.817 -179.804 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.81 0.338 . . . . 74.52 110.85 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.01 102.46 11.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 63.52 110.89 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -132.08 43.07 3.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 73.52 110.842 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -97.47 147.04 24.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.86 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 63.26 104.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 62.22 110.89 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -123.85 143.88 50.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 73.21 110.923 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.64 -53.33 4.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 74.31 110.867 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.54 103.8 1.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 75.25 110.939 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.77 -172.69 4.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 74.25 110.873 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.412 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.7 mm -61.65 121.06 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 72.53 111.163 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.3 2.41 41.32 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.725 -0.75 . . . . 50.44 112.443 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -90.45 175.07 7.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.813 0.34 . . . . 72.23 110.956 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -103.35 142.19 34.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 65.33 110.887 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.35 145.89 4.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 62.05 110.875 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -88.34 -33.16 18.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 75.04 110.945 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.7 m -134.58 175.75 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.514 . . . . 52.25 111.093 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.8 -42.89 76.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 71.23 111.138 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.87 -33.84 62.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 72.23 110.852 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.88 -31.75 72.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 72.44 110.943 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.82 127.29 36.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 53.0 110.826 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.73 -29.33 68.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 32.03 110.936 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.81 -16.57 44.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 73.3 110.787 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.54 46.49 3.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 71.41 110.855 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -129.97 32.7 4.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 72.42 110.877 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.01 151.02 23.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 43.43 110.847 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.409 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.63 151.27 52.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 72.2 110.903 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -67.22 -29.93 69.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.887 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.409 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.54 -50.59 6.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 71.23 110.884 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.11 -40.74 82.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 61.12 111.124 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.45 10.37 3.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 72.24 111.113 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.64 140.03 33.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 62.44 110.838 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.0 113.59 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 65.14 110.905 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.07 133.17 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 71.52 111.147 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 75.31 110.835 -179.867 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.849 0.357 . . . . 74.52 110.883 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -79.97 102.93 9.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 63.52 110.91 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -141.68 137.08 31.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.28 -0.418 . . . . 73.52 110.9 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -138.63 130.63 28.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 73.35 110.888 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -87.46 124.94 33.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 62.22 110.851 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -66.55 176.16 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 73.21 110.923 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.68 -53.29 4.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 74.31 110.922 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.58 103.95 1.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 75.25 110.863 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.66 -170.93 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 74.25 110.889 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.414 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.5 mm -63.33 121.57 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 72.53 111.156 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.75 2.58 43.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.748 . . . . 50.44 112.503 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -90.15 176.22 6.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 72.23 110.9 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -104.82 141.84 35.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 65.33 110.815 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -167.07 146.06 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 62.05 110.882 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -88.18 -33.3 18.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 75.04 110.921 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.44 HG23 ' H ' ' A' ' 19' ' ' GLU . 28.0 m -134.53 176.07 9.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 52.25 111.109 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.95 -42.78 76.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 71.23 111.069 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -55.0 -33.78 62.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 72.23 110.875 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.44 ' H ' HG23 ' A' ' 16' ' ' VAL . 7.8 mm-40 -61.82 -31.83 72.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.858 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.86 127.28 36.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 53.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -29.48 68.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 32.03 110.929 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -83.61 -16.53 44.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 73.3 110.917 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.56 46.31 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 71.41 110.948 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -129.77 32.71 4.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 72.42 110.937 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.0 151.12 23.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 43.43 110.849 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.403 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.68 151.23 52.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 72.2 110.877 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -67.06 -30.21 70.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 74.42 110.9 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.403 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.1 m-85 -86.51 -50.52 6.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 71.23 110.888 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.13 -40.7 82.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 61.12 111.128 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.35 10.25 3.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 72.24 111.127 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.45 139.88 33.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 62.44 110.902 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.414 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.06 113.53 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 65.14 110.896 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -116.92 133.02 64.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 71.52 111.14 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 75.31 110.8 -179.84 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.799 0.333 . . . . 74.52 110.85 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -54.66 -72.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 63.52 110.873 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.53 164.81 11.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 73.52 110.892 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -139.33 146.27 40.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.917 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -57.38 127.57 32.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 62.22 110.83 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -63.59 165.69 7.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.935 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.69 -53.24 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.929 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.66 103.97 1.38 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 75.25 110.84 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.58 -171.05 3.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.903 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.416 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.5 mm -63.34 121.51 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 72.53 111.115 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.89 2.65 42.63 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.737 -0.744 . . . . 50.44 112.468 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -90.23 176.13 6.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 72.23 110.857 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -104.69 141.76 35.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 65.33 110.794 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -166.98 146.02 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 62.05 110.87 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -88.25 -33.18 18.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 75.04 110.954 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 m -134.5 175.95 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 52.25 111.139 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.98 -42.79 76.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 71.23 111.083 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -54.9 -33.78 62.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.925 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -31.8 72.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 72.44 110.962 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.89 127.35 36.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 53.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -29.41 68.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 32.03 110.867 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.3 t -83.68 -16.56 44.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 73.3 110.867 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm 64.56 46.35 3.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 71.41 110.923 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -129.82 32.59 4.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 72.42 110.877 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.95 151.14 23.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 43.43 110.88 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.402 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.67 151.2 52.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 72.2 110.864 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -67.08 -30.2 70.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 74.42 110.859 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.402 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.53 -50.47 6.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 71.23 110.964 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.11 -40.74 82.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 61.12 111.133 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.32 10.37 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 72.24 111.144 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.57 139.76 33.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 62.44 110.91 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.416 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.93 113.44 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 65.14 110.871 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -116.97 133.02 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 71.52 111.165 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 75.31 110.862 -179.818 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.526 0.041 0 CA-C-O 120.808 0.337 . . . . 74.52 110.831 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -89.01 165.02 14.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 63.52 110.916 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -137.6 137.51 38.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 73.52 110.89 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -149.91 154.1 37.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.35 110.921 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -110.31 115.13 29.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 62.22 110.81 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -59.65 165.73 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 73.21 110.957 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.66 -53.29 4.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.931 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.54 103.93 1.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 75.25 110.898 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.54 -171.02 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 74.25 110.937 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.408 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.3 mm -63.26 121.4 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 72.53 111.127 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.89 2.75 42.64 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 50.44 112.476 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -90.32 176.18 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.881 0.372 . . . . 72.23 110.931 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -104.67 141.94 35.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 65.33 110.889 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -167.18 146.04 5.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 62.05 110.869 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -88.32 -33.0 18.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 75.04 110.948 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.3 m -134.74 175.87 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 52.25 111.114 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.8 -42.81 76.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 71.23 111.143 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -54.92 -33.79 62.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 72.23 110.847 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -31.87 72.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.859 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.85 127.4 36.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 53.0 110.812 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.84 -29.3 68.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 32.03 110.861 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -83.76 -16.59 44.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 73.3 110.848 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt 64.57 46.24 3.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 71.41 110.882 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mmt-85 -129.69 32.62 4.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 72.42 110.896 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.99 151.07 23.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 43.43 110.844 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.4 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.68 151.17 52.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 72.2 110.911 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -67.04 -30.13 70.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 74.42 110.889 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.4 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.1 m-85 -86.58 -50.48 6.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 71.23 110.843 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.2 -40.68 82.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 61.12 111.102 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.39 10.32 3.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 72.24 111.081 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.46 139.84 33.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 62.44 110.872 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.408 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.03 113.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 65.14 110.868 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -116.99 133.07 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 71.52 111.122 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.836 -179.843 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.1 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.822 0.344 . . . . 74.52 110.818 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -137.11 -44.69 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 63.52 110.932 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -105.12 155.6 18.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 73.52 110.947 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -120.78 51.0 1.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 73.35 110.89 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 58.62 38.59 25.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 62.22 110.846 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -73.51 170.52 14.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 73.21 110.843 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.62 -53.31 4.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.881 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.54 103.81 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 75.25 110.893 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -81.87 -173.03 4.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.868 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.408 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.5 mm -61.45 121.18 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 72.53 111.082 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.19 2.2 41.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 50.44 112.549 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -90.33 175.06 7.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.973 0.416 . . . . 72.23 110.803 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -103.29 142.17 34.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.073 -0.512 . . . . 65.33 110.888 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.27 145.93 4.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.268 -0.423 . . . . 62.05 110.907 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -88.39 -33.24 17.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 75.04 110.971 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.6 m -134.47 175.85 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 52.25 111.126 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -42.81 76.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 71.23 111.141 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.95 -33.82 62.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 72.23 110.877 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.89 -31.79 72.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 72.44 110.897 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.74 127.34 36.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 53.0 110.809 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.78 -29.37 68.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 32.03 110.831 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.0 t -83.89 -16.51 44.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.3 110.79 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt 64.53 46.49 3.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 71.41 110.914 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.0 mmt-85 -129.95 32.66 4.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 72.42 110.836 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.95 150.95 23.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 43.43 110.923 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.412 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.65 151.23 52.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 72.2 110.847 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -67.1 -30.05 69.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 74.42 110.874 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.412 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.49 -50.49 6.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 71.23 110.963 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.21 -40.84 82.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 61.12 111.03 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.5 10.33 3.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 72.24 111.037 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.52 139.98 33.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 62.44 110.899 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.408 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.94 113.62 1.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 65.14 110.904 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.13 133.09 64.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 71.52 111.111 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.843 -179.848 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.8 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.789 0.328 . . . . 74.52 110.843 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -121.22 -71.34 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 63.52 110.933 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -127.68 -179.77 5.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 73.52 110.885 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -135.75 -172.86 3.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 73.35 110.984 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -89.5 117.96 28.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 62.22 110.897 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -70.57 153.85 42.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 73.21 110.832 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.6 -53.34 4.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 74.31 110.871 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.55 103.79 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 75.25 110.864 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -81.77 -172.94 4.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 74.25 110.855 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.409 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.3 mm -61.44 121.27 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 72.53 111.134 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.04 2.16 42.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 50.44 112.468 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -90.08 174.95 7.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 72.23 110.838 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -103.24 142.42 34.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.105 -0.498 . . . . 65.33 110.812 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.8 p -167.6 146.03 4.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 62.05 110.894 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -88.61 -33.23 17.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 75.04 110.877 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.5 m -134.32 175.73 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 52.25 111.103 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.85 -42.83 76.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 71.23 111.13 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -54.93 -33.87 62.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.854 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -31.88 72.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.871 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.72 127.29 36.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 53.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.65 -29.51 68.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 32.03 110.914 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.7 t -83.72 -16.56 44.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 73.3 110.842 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt 64.57 46.63 3.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 71.41 110.892 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.7 mmt-85 -130.14 32.66 4.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 72.42 110.867 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.94 150.99 23.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 43.43 110.933 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.412 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.64 151.21 52.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 72.2 110.878 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -67.06 -30.06 70.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.907 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.412 ' HB2' HD23 ' A' ' 26' ' ' LEU . 97.9 m-85 -86.46 -50.59 6.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 71.23 110.882 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.24 -40.68 81.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 61.12 111.094 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.45 10.24 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 72.24 111.112 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.52 140.04 33.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 62.44 110.89 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.98 113.61 1.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 65.14 110.887 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.06 133.03 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 71.52 111.154 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 75.31 110.845 -179.862 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.875 0.369 . . . . 73.21 110.842 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.72 -53.28 4.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.859 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.14 103.92 1.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.925 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -81.79 -172.89 4.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 74.25 110.897 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.411 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.6 mm -61.44 121.1 8.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.425 . . . . 72.53 111.122 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.0 2.34 42.18 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.786 -0.721 . . . . 50.44 112.473 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -90.29 175.13 7.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.88 0.372 . . . . 72.23 110.873 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -103.28 142.34 34.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 65.33 110.809 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.41 145.78 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 62.05 110.894 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -88.35 -33.15 18.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 75.04 110.944 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.9 m -134.59 175.89 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 52.25 111.195 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -42.77 76.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 71.23 111.088 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.94 -33.81 62.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 72.23 110.858 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -61.95 -31.83 72.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 72.44 110.874 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.62 127.19 36.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 53.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.72 -29.33 68.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 32.03 110.888 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.1 t -83.88 -16.44 44.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 73.3 110.885 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt 64.54 46.41 3.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 71.41 110.92 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.86 32.64 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 72.42 110.849 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.0 151.08 23.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 43.43 110.847 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.414 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.64 151.21 52.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 72.2 110.92 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -67.11 -29.96 69.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 74.42 110.9 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.414 ' HB2' HD23 ' A' ' 26' ' ' LEU . 97.9 m-85 -86.6 -50.51 6.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 71.23 110.921 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.21 -40.74 82.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 61.12 111.103 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.51 10.25 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 72.24 111.066 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.57 139.99 33.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 62.44 110.844 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.97 113.6 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 65.14 110.869 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.01 133.1 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 71.52 111.187 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.838 -179.798 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.82 0.343 . . . . 73.21 110.939 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.7 -53.26 4.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 74.31 110.896 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.1 103.86 1.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 75.25 110.913 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -81.73 -172.96 4.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 74.25 110.92 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.413 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.8 mm -61.47 120.99 8.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 72.53 111.15 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.23 2.25 41.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 50.44 112.5 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -90.28 175.11 7.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.761 0.315 . . . . 72.23 110.927 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -103.22 142.32 34.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 65.33 110.888 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.38 145.77 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 62.05 110.898 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -88.33 -33.21 18.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 75.04 110.884 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 m -134.58 175.91 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 52.25 111.109 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.83 -42.89 76.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 71.23 111.069 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -54.85 -33.89 62.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 72.23 110.853 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.79 -31.91 72.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 72.44 110.908 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.65 127.28 36.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 53.0 110.804 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -29.28 68.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 32.03 110.785 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.8 t -83.98 -16.44 44.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 73.3 110.861 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt 64.55 46.3 3.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 71.41 110.943 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -129.75 32.68 4.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 72.42 110.89 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.01 151.07 23.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 43.43 110.903 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.411 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.67 151.22 52.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 72.2 110.908 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -67.11 -30.0 69.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.925 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.411 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.51 -50.51 6.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 71.23 110.978 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.18 -40.77 82.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 61.12 111.104 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.48 10.28 3.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 72.24 111.047 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.56 140.05 33.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.42 . . . . 62.44 110.89 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.413 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.94 113.64 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 65.14 110.9 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.11 133.16 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 71.52 111.167 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 75.31 110.866 -179.88 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.6 pm0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.919 0.39 . . . . 73.21 110.861 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.61 -53.33 4.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.955 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.05 103.92 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 75.25 110.931 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -81.89 -172.94 4.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 74.25 110.927 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.407 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.6 mm -61.36 121.06 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 72.53 111.09 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.08 2.3 41.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 50.44 112.504 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -90.28 174.97 7.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 72.23 110.878 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -103.17 142.33 34.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 65.33 110.815 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.42 145.75 4.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 62.05 110.857 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -88.27 -33.29 18.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 75.04 110.983 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.6 m -134.49 175.91 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 52.25 111.119 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.86 -42.81 76.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 71.23 111.112 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -33.88 62.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.853 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.83 -31.83 72.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 72.44 110.971 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.68 127.17 36.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 53.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.67 -29.38 68.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 32.03 110.912 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.2 t -83.85 -16.53 44.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 73.3 110.816 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt 64.58 46.38 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 71.41 110.906 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -129.84 32.74 4.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 72.42 110.841 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.02 151.02 23.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 43.43 110.921 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.417 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.65 151.18 52.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 72.2 110.868 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -67.17 -29.95 69.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 74.42 110.848 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.417 ' HB2' HD23 ' A' ' 26' ' ' LEU . 97.9 m-85 -86.53 -50.52 6.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 71.23 110.933 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.23 -40.79 81.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 61.12 111.125 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.47 10.29 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 72.24 111.141 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.56 140.04 33.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 62.44 110.906 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.9 113.63 1.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 65.14 110.903 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.04 133.12 64.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 71.52 111.101 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 75.31 110.908 -179.888 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.83 0.348 . . . . 73.21 110.867 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.58 -53.38 4.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.925 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.04 103.95 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 75.25 110.945 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -81.83 -172.86 4.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.877 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.412 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.6 mm -61.46 121.03 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 72.53 111.157 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.15 2.15 41.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 50.44 112.494 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -90.14 175.14 7.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 72.23 110.928 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -103.27 142.31 34.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 65.33 110.85 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.48 145.86 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 62.05 110.853 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -88.41 -33.25 17.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 75.04 110.914 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.0 m -134.43 175.89 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 52.25 111.131 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.89 -42.75 76.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 71.23 111.135 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.91 -33.88 62.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 72.23 110.843 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -61.96 -31.73 72.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 72.44 110.878 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.75 127.3 36.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 53.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -29.28 68.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 32.03 110.866 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.9 -16.51 44.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 73.3 110.858 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt 64.58 46.32 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.856 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 mmt-85 -129.77 32.71 4.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 72.42 110.866 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.06 151.08 23.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 43.43 110.797 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.411 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.67 151.18 52.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 72.2 110.886 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -67.07 -29.99 69.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 74.42 110.884 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.411 ' HB2' HD23 ' A' ' 26' ' ' LEU . 97.9 m-85 -86.6 -50.5 6.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.15 -0.477 . . . . 71.23 110.871 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.19 -40.8 82.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 61.12 111.098 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.49 10.29 3.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 72.24 111.077 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.62 140.02 33.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 62.44 110.887 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.08 113.68 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 65.14 110.842 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.01 133.09 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 71.52 111.176 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.892 -179.824 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.781 0.324 . . . . 73.21 110.941 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.65 -53.33 4.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 74.31 110.898 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.06 103.85 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 75.25 110.938 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -81.77 -172.98 4.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 74.25 110.967 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.409 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.5 mm -61.29 120.9 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.307 -0.406 . . . . 72.53 111.117 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.25 2.41 41.47 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 50.44 112.53 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -90.45 175.13 7.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.949 0.404 . . . . 72.23 110.839 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -103.29 142.17 34.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 65.33 110.855 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.3 145.77 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 62.05 110.84 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -88.26 -33.18 18.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 75.04 110.899 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.404 HG23 ' H ' ' A' ' 19' ' ' GLU . 16.8 m -134.64 175.97 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 52.25 111.1 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.72 -42.96 76.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 71.23 111.145 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.94 -33.77 62.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.85 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.404 ' H ' HG23 ' A' ' 16' ' ' VAL . 2.0 mm-40 -61.97 -31.7 72.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 72.44 110.902 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.69 127.25 36.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 53.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -29.19 68.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 32.03 110.906 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.1 t -84.02 -16.5 43.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 73.3 110.845 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt 64.57 46.48 3.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 71.41 110.913 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -130.01 32.77 4.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 72.42 110.863 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.08 151.14 22.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 43.43 110.849 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.409 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.66 151.18 52.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 72.2 110.948 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -67.07 -30.05 69.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 74.42 110.818 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.409 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.53 -50.55 6.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 71.23 110.931 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.12 -40.84 82.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 61.12 111.069 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.46 10.33 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.399 . . . . 72.24 111.067 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.57 140.01 33.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 62.44 110.931 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.02 113.79 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 65.14 110.902 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.26 133.12 65.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 71.52 111.126 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 75.31 110.812 -179.812 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.804 0.335 . . . . 73.21 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.74 -53.32 4.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.858 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.02 104.0 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.891 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -81.78 -172.7 4.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 74.25 110.856 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.408 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.7 mm -61.73 121.07 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 72.53 111.159 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.2 2.21 41.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.736 . . . . 50.44 112.47 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -90.22 175.35 7.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.902 0.382 . . . . 72.23 110.857 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -103.5 142.24 34.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 65.33 110.795 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.37 145.85 4.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 62.05 110.889 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -88.32 -33.24 18.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.484 . . . . 75.04 110.909 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 m -134.52 175.9 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 52.25 111.115 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.87 -42.81 76.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 71.23 111.096 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.88 -33.9 62.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 72.23 110.868 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -61.81 -31.91 72.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.883 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.63 127.23 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 53.0 110.826 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -29.13 67.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 32.03 110.946 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 t -84.01 -16.47 43.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 73.3 110.86 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt 64.51 46.56 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.055 -0.52 . . . . 71.41 110.977 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 mmt-85 -130.16 32.71 4.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 72.42 110.806 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.03 151.11 23.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 43.43 110.858 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.408 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.7 151.14 52.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 72.2 110.848 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -67.05 -29.99 69.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 74.42 110.9 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.408 ' HB2' HD23 ' A' ' 26' ' ' LEU . 97.9 m-85 -86.56 -50.54 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 71.23 110.926 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.16 -40.78 82.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 61.12 111.111 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.36 10.38 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 72.24 111.087 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.53 139.94 33.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 62.44 110.904 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.408 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.99 113.72 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 65.14 110.936 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.11 133.09 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 71.52 111.186 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 75.31 110.913 -179.818 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.779 0.323 . . . . 73.21 110.932 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.7 -53.32 4.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.882 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.06 103.95 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 75.25 110.889 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -81.78 -173.1 4.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.884 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.412 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.6 mm -61.27 120.88 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 72.53 111.164 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.27 2.41 41.4 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.716 -0.754 . . . . 50.44 112.461 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -90.48 175.14 7.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.947 0.403 . . . . 72.23 110.814 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -103.22 142.24 34.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 65.33 110.874 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.37 145.7 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 62.05 110.823 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -88.09 -33.28 18.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.516 . . . . 75.04 110.981 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 m -134.57 176.06 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.507 . . . . 52.25 111.112 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.94 -42.87 76.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 71.23 111.06 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.89 -33.91 62.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 72.23 110.767 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.84 -31.87 72.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 72.44 110.935 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.57 127.31 36.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 53.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -29.22 68.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 32.03 110.867 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.9 t -84.07 -16.46 43.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 73.3 110.826 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 64.56 46.3 3.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.884 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.77 32.71 4.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 72.42 110.818 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.03 151.11 23.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 43.43 110.936 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.413 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.62 151.17 52.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 72.2 110.896 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -67.08 -30.04 69.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.868 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.413 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.55 -50.5 6.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 71.23 110.915 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.23 -40.74 81.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 61.12 111.077 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.47 10.28 3.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 72.24 111.113 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.54 140.06 33.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 62.44 110.894 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.09 113.66 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 65.14 110.841 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.12 133.14 64.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 71.52 111.151 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 75.31 110.864 -179.9 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.834 0.35 . . . . 73.21 110.93 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.63 -53.35 4.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.895 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.1 103.95 1.29 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 75.25 110.973 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -81.72 -172.52 3.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 74.25 110.935 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.411 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.8 mm -61.82 121.37 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.317 -0.401 . . . . 72.53 111.117 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.82 2.12 42.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.806 -0.712 . . . . 50.44 112.512 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -89.91 175.47 7.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.883 0.373 . . . . 72.23 110.844 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -103.76 142.21 34.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 65.33 110.838 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.34 145.88 4.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 62.05 110.863 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -88.31 -33.14 18.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.934 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.457 HG22 ' OE1' ' A' ' 19' ' ' GLU . 10.0 m -134.66 175.82 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 52.25 111.172 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.78 -42.79 76.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 71.23 111.135 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -54.83 -33.9 62.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 72.23 110.922 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.457 ' OE1' HG22 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -61.88 -31.8 72.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.912 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.77 127.28 36.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 53.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -29.14 67.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 32.03 110.876 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.1 t -84.12 -16.45 43.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 73.3 110.816 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt 64.58 46.0 3.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 71.41 110.871 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.33 32.58 4.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.863 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.93 150.99 23.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 43.43 110.885 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.419 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.7 151.21 52.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 72.2 110.878 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -67.08 -29.84 69.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 74.42 110.95 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.419 ' HB2' HD23 ' A' ' 26' ' ' LEU . 97.9 m-85 -86.61 -50.61 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 71.23 110.864 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.23 -40.83 81.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 61.12 111.052 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.46 10.29 3.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 72.24 111.135 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.54 139.8 33.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 62.44 110.802 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.7 113.55 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 65.14 110.901 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -116.97 133.1 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 71.52 111.126 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 75.31 110.899 -179.881 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.836 0.35 . . . . 73.21 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.59 -53.31 4.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.31 110.877 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.07 104.18 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 75.25 110.874 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -81.55 -171.0 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.25 110.861 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.406 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.4 mm -63.34 121.74 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 72.53 111.118 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.55 2.13 43.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 50.44 112.551 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -89.59 176.35 6.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 72.23 110.881 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -104.9 141.62 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 65.33 110.883 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -166.86 145.97 5.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 62.05 110.852 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -88.21 -33.24 18.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 75.04 110.876 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.8 m -134.56 175.97 9.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 52.25 111.125 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.78 -42.71 77.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 71.23 111.166 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -54.91 -33.9 62.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.23 110.797 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.82 -31.82 72.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 72.44 110.941 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 127.31 36.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 53.0 110.812 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -29.08 68.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 32.03 110.874 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.04 -16.43 43.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 73.3 110.858 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt 64.54 45.59 3.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.072 -0.513 . . . . 71.41 110.893 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.89 32.68 4.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 72.42 110.891 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.09 151.13 22.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 43.43 110.834 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.405 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 12.3 tp -132.6 151.16 52.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 72.2 110.889 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -66.99 -30.19 70.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 74.42 110.902 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -86.68 -50.31 6.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 71.23 110.916 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.405 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . . . -68.14 -40.72 82.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 61.12 111.041 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.29 10.35 3.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 72.24 111.099 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.59 139.8 33.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 62.44 110.907 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.406 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.03 113.5 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 65.14 110.921 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -116.75 133.07 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 71.52 111.142 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 75.31 110.912 -179.889 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.904 0.383 . . . . 73.21 110.963 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.64 -53.38 4.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 74.31 110.88 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.5 103.81 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 75.25 110.903 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -81.87 -172.83 4.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 74.25 110.876 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.408 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.3 mm -61.5 121.19 9.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 72.53 111.095 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.05 2.3 42.03 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.744 -0.741 . . . . 50.44 112.539 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -90.32 175.15 7.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.835 0.35 . . . . 72.23 110.938 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -103.46 142.15 34.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 65.33 110.818 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.3 146.05 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 62.05 110.888 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -88.49 -33.38 17.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 75.04 110.9 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.1 m -134.29 175.8 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 52.25 111.111 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -42.85 76.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 71.23 111.136 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -54.85 -33.82 62.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.23 110.917 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.89 -31.77 72.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 72.44 110.906 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.82 127.35 36.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 53.0 110.83 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -29.27 68.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 32.03 110.947 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.9 t -83.92 -16.5 44.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 73.3 110.818 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt 64.48 46.51 3.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 71.41 110.937 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 mmt-85 -129.91 32.63 4.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 72.42 110.914 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.89 151.01 23.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 43.43 110.899 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.409 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.71 151.2 52.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 72.2 110.952 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -67.14 -29.95 69.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.904 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.409 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.5 -50.52 6.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 71.23 110.993 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.24 -40.73 81.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 61.12 111.115 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.52 10.28 3.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 72.24 111.095 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.58 139.95 33.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 62.44 110.832 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.408 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.91 113.57 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 65.14 110.902 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.08 133.13 64.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 71.52 111.076 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 75.31 110.816 -179.837 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.896 0.379 . . . . 73.21 110.937 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.72 -53.29 4.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.87 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.59 103.91 1.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 75.25 110.903 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -81.62 -171.33 3.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.25 110.95 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.407 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.3 mm -62.92 121.34 11.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 72.53 111.132 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.01 2.54 42.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.795 -0.717 . . . . 50.44 112.504 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -90.2 176.04 6.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.362 . . . . 72.23 110.886 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -104.55 141.97 35.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 65.33 110.799 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -167.17 146.0 5.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 62.05 110.922 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -88.39 -32.95 18.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 75.04 110.908 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.5 m -134.69 175.88 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 52.25 111.079 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.92 -42.85 76.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 71.23 111.043 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.88 -33.82 62.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 72.23 110.819 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.97 -31.79 72.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 72.44 110.868 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.74 127.29 36.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 53.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.78 -29.3 68.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 32.03 110.842 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.82 -16.44 44.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 73.3 110.913 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt 64.5 46.33 3.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.113 -0.494 . . . . 71.41 110.871 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -129.82 32.61 4.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 72.42 110.854 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.03 151.18 22.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 43.43 110.845 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.403 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.67 151.12 52.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 72.2 110.96 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -67.15 -30.02 69.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 74.42 110.926 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.403 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.1 m-85 -86.59 -50.48 6.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 71.23 110.888 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.11 -40.81 82.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 61.12 111.101 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.44 10.38 3.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 72.24 111.022 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.48 139.92 33.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 62.44 110.939 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.21 113.63 1.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 65.14 110.875 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.07 133.16 64.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 71.52 111.091 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.838 -179.852 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.855 0.36 . . . . 73.21 110.945 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.52 -53.4 4.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 74.31 110.958 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.48 103.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 75.25 110.964 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -81.84 -173.08 4.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.938 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.41 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.6 mm -61.21 120.87 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 72.53 111.13 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.4 2.39 41.02 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.753 -0.737 . . . . 50.44 112.495 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -90.44 174.86 7.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 72.23 110.943 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -103.07 142.19 34.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 65.33 110.886 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.31 145.92 4.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 62.05 110.814 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -88.46 -33.13 17.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.51 . . . . 75.04 110.947 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.1 m -134.6 175.81 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 52.25 111.088 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.91 -42.9 76.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 71.23 111.058 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -54.83 -33.86 62.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.875 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -31.86 72.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 72.44 110.882 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.69 127.32 36.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 53.0 110.812 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -29.28 68.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 32.03 110.879 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.3 t -83.91 -16.52 43.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 73.3 110.861 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt 64.54 46.32 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 71.41 110.898 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 mmt-85 -129.78 32.68 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 72.42 110.915 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.03 150.99 23.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 43.43 110.875 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.414 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.6 151.14 52.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 72.2 110.954 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -67.02 -30.08 70.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.42 110.871 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.414 ' HB2' HD23 ' A' ' 26' ' ' LEU . 97.9 m-85 -86.47 -50.53 6.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 71.23 110.96 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.22 -40.67 82.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 61.12 111.16 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.47 10.24 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 72.24 111.129 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.54 140.0 33.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 62.44 110.891 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.93 113.58 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 65.14 110.906 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.06 133.16 64.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 71.52 111.163 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.6 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 75.31 110.813 -179.871 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.863 0.363 . . . . 73.21 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.73 -53.38 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 74.31 110.833 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.51 103.98 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 75.25 110.901 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.63 -171.07 3.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 74.25 110.868 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.412 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.5 mm -63.26 121.4 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 72.53 111.105 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.91 2.67 42.54 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.714 -0.755 . . . . 50.44 112.486 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -90.29 176.3 6.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.884 0.374 . . . . 72.23 110.87 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -104.78 141.9 35.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 65.33 110.88 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -167.17 146.06 5.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 62.05 110.842 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -88.29 -33.07 18.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.887 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.9 m -134.68 175.98 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 52.25 111.136 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.96 -42.85 76.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 71.23 111.064 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -54.79 -33.88 61.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 72.23 110.868 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -31.84 72.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.456 . . . . 72.44 110.871 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.88 127.31 36.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 53.0 110.794 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -29.25 68.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 32.03 110.947 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.4 t -83.78 -16.53 44.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 73.3 110.847 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.54 46.22 3.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 71.41 110.909 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 mmt-85 -129.71 32.75 4.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 72.42 110.857 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.16 151.16 22.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 43.43 110.807 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.4 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.67 151.17 52.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 72.2 110.935 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -67.15 -30.02 69.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.869 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.4 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.63 -50.4 6.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 71.23 110.922 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.19 -40.76 82.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 61.12 111.143 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.39 10.3 3.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 72.24 111.129 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.42 139.89 33.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 62.44 110.884 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.04 113.45 1.02 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 65.14 110.913 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.0 133.11 64.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 71.52 111.123 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 75.31 110.845 -179.849 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.816 0.341 . . . . 73.21 110.945 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.65 -53.31 4.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.845 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.52 103.88 1.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.881 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.8 mtmt -81.9 -173.05 4.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 74.25 110.92 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.415 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.5 mm -61.27 120.91 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.415 . . . . 72.53 111.143 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.38 2.26 41.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 50.44 112.51 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -90.36 174.96 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.38 . . . . 72.23 110.857 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -103.19 142.24 34.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 65.33 110.869 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.38 145.91 4.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 62.05 110.903 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -88.35 -33.41 17.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 75.04 110.92 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.5 m -134.37 175.88 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 52.25 111.109 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.0 -42.74 76.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 71.23 111.085 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -54.9 -33.89 62.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 72.23 110.874 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -31.71 72.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.922 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.79 127.37 36.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 53.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -29.26 68.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 32.03 110.853 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.6 t -83.85 -16.59 43.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 73.3 110.908 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt 64.49 46.5 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 71.41 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.96 32.74 4.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.785 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.05 150.97 23.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 43.43 110.792 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.412 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.58 151.18 52.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 72.2 110.99 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -67.1 -29.99 69.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.891 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.412 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.54 -50.48 6.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 71.23 110.941 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.21 -40.83 82.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 61.12 111.036 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.5 10.35 3.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 72.24 111.08 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.57 140.08 33.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 62.44 110.911 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.415 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.08 113.68 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 65.14 110.906 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.18 133.09 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 71.52 111.148 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.6 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.817 -179.804 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.811 0.338 . . . . 73.21 110.923 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.64 -53.33 4.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 74.31 110.867 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.54 103.8 1.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 75.25 110.939 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.77 -172.69 4.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 74.25 110.873 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.412 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.7 mm -61.65 121.06 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 72.53 111.163 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.3 2.41 41.32 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.725 -0.75 . . . . 50.44 112.443 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -90.45 175.07 7.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.813 0.34 . . . . 72.23 110.956 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -103.35 142.19 34.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 65.33 110.887 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.35 145.89 4.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 62.05 110.875 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -88.34 -33.16 18.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 75.04 110.945 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.7 m -134.58 175.75 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.514 . . . . 52.25 111.093 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.8 -42.89 76.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 71.23 111.138 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.87 -33.84 62.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 72.23 110.852 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.88 -31.75 72.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 72.44 110.943 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.82 127.29 36.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 53.0 110.826 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.73 -29.33 68.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 32.03 110.936 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.81 -16.57 44.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 73.3 110.787 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.54 46.49 3.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 71.41 110.855 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -129.97 32.7 4.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 72.42 110.877 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.01 151.02 23.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 43.43 110.847 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.409 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.63 151.27 52.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 72.2 110.903 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -67.22 -29.93 69.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.887 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.409 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.54 -50.59 6.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 71.23 110.884 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.11 -40.74 82.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 61.12 111.124 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.45 10.37 3.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 72.24 111.113 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.64 140.03 33.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 62.44 110.838 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.0 113.59 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 65.14 110.905 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.07 133.17 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 71.52 111.147 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 75.31 110.835 -179.867 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.801 0.334 . . . . 73.21 110.923 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.68 -53.29 4.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 74.31 110.922 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.58 103.95 1.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 75.25 110.863 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.66 -170.93 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 74.25 110.889 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.414 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.5 mm -63.33 121.57 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 72.53 111.156 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.75 2.58 43.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.748 . . . . 50.44 112.503 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -90.15 176.22 6.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 72.23 110.9 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -104.82 141.84 35.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 65.33 110.815 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -167.07 146.06 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 62.05 110.882 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -88.18 -33.3 18.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 75.04 110.921 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.44 HG23 ' H ' ' A' ' 19' ' ' GLU . 28.0 m -134.53 176.07 9.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 52.25 111.109 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.95 -42.78 76.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 71.23 111.069 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -55.0 -33.78 62.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 72.23 110.875 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.44 ' H ' HG23 ' A' ' 16' ' ' VAL . 7.8 mm-40 -61.82 -31.83 72.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.858 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.86 127.28 36.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 53.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -29.48 68.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 32.03 110.929 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -83.61 -16.53 44.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 73.3 110.917 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.56 46.31 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 71.41 110.948 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -129.77 32.71 4.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 72.42 110.937 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.0 151.12 23.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 43.43 110.849 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.403 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.68 151.23 52.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 72.2 110.877 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -67.06 -30.21 70.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 74.42 110.9 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.403 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.1 m-85 -86.51 -50.52 6.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 71.23 110.888 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.13 -40.7 82.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 61.12 111.128 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.35 10.25 3.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 72.24 111.127 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.45 139.88 33.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 62.44 110.902 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.414 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.06 113.53 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 65.14 110.896 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -116.92 133.02 64.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 71.52 111.14 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 75.31 110.8 -179.84 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.843 0.354 . . . . 73.21 110.935 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.69 -53.24 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.929 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.66 103.97 1.38 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 75.25 110.84 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.58 -171.05 3.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.903 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.416 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.5 mm -63.34 121.51 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 72.53 111.115 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.89 2.65 42.63 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.737 -0.744 . . . . 50.44 112.468 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -90.23 176.13 6.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 72.23 110.857 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -104.69 141.76 35.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 65.33 110.794 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -166.98 146.02 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 62.05 110.87 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -88.25 -33.18 18.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 75.04 110.954 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 m -134.5 175.95 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 52.25 111.139 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.98 -42.79 76.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 71.23 111.083 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -54.9 -33.78 62.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.925 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -31.8 72.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 72.44 110.962 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.89 127.35 36.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 53.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -29.41 68.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 32.03 110.867 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.3 t -83.68 -16.56 44.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 73.3 110.867 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm 64.56 46.35 3.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 71.41 110.923 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -129.82 32.59 4.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 72.42 110.877 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.95 151.14 23.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 43.43 110.88 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.402 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.67 151.2 52.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 72.2 110.864 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -67.08 -30.2 70.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 74.42 110.859 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.402 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.53 -50.47 6.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 71.23 110.964 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.11 -40.74 82.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 61.12 111.133 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.32 10.37 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 72.24 111.144 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.57 139.76 33.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 62.44 110.91 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.416 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.93 113.44 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 65.14 110.871 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -116.97 133.02 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 71.52 111.165 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 75.31 110.862 -179.818 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.805 0.336 . . . . 73.21 110.957 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.66 -53.29 4.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.931 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.54 103.93 1.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 75.25 110.898 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.54 -171.02 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 74.25 110.937 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.408 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.3 mm -63.26 121.4 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 72.53 111.127 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.89 2.75 42.64 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 50.44 112.476 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -90.32 176.18 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.881 0.372 . . . . 72.23 110.931 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -104.67 141.94 35.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 65.33 110.889 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -167.18 146.04 5.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 62.05 110.869 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -88.32 -33.0 18.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 75.04 110.948 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.3 m -134.74 175.87 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 52.25 111.114 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.8 -42.81 76.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 71.23 111.143 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -54.92 -33.79 62.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 72.23 110.847 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -31.87 72.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.859 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.85 127.4 36.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 53.0 110.812 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.84 -29.3 68.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 32.03 110.861 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -83.76 -16.59 44.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 73.3 110.848 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt 64.57 46.24 3.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 71.41 110.882 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mmt-85 -129.69 32.62 4.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 72.42 110.896 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.99 151.07 23.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 43.43 110.844 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.4 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.68 151.17 52.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 72.2 110.911 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -67.04 -30.13 70.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 74.42 110.889 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.4 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.1 m-85 -86.58 -50.48 6.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 71.23 110.843 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.2 -40.68 82.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 61.12 111.102 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.39 10.32 3.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 72.24 111.081 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.46 139.84 33.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 62.44 110.872 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.408 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.03 113.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 65.14 110.868 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -116.99 133.07 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 71.52 111.122 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.836 -179.843 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.88 0.371 . . . . 73.21 110.843 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.62 -53.31 4.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.881 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.54 103.81 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 75.25 110.893 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -81.87 -173.03 4.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.868 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.408 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.5 mm -61.45 121.18 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 72.53 111.082 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.19 2.2 41.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 50.44 112.549 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -90.33 175.06 7.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.973 0.416 . . . . 72.23 110.803 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -103.29 142.17 34.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.073 -0.512 . . . . 65.33 110.888 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.27 145.93 4.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.268 -0.423 . . . . 62.05 110.907 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -88.39 -33.24 17.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 75.04 110.971 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.6 m -134.47 175.85 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 52.25 111.126 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -42.81 76.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 71.23 111.141 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.95 -33.82 62.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 72.23 110.877 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.89 -31.79 72.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 72.44 110.897 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.74 127.34 36.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 53.0 110.809 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.78 -29.37 68.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 32.03 110.831 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.0 t -83.89 -16.51 44.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.3 110.79 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt 64.53 46.49 3.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 71.41 110.914 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.0 mmt-85 -129.95 32.66 4.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 72.42 110.836 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.95 150.95 23.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 43.43 110.923 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.412 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.65 151.23 52.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 72.2 110.847 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -67.1 -30.05 69.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 74.42 110.874 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.412 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.49 -50.49 6.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 71.23 110.963 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.21 -40.84 82.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 61.12 111.03 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.5 10.33 3.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 72.24 111.037 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.52 139.98 33.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 62.44 110.899 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.408 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.94 113.62 1.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 65.14 110.904 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.13 133.09 64.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 71.52 111.111 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.843 -179.848 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.859 0.362 . . . . 73.21 110.832 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.6 -53.34 4.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 74.31 110.871 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.55 103.79 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 75.25 110.864 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -81.77 -172.94 4.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 74.25 110.855 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.409 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.3 mm -61.44 121.27 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 72.53 111.134 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.04 2.16 42.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 50.44 112.468 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -90.08 174.95 7.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 72.23 110.838 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -103.24 142.42 34.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.105 -0.498 . . . . 65.33 110.812 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.8 p -167.6 146.03 4.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 62.05 110.894 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -88.61 -33.23 17.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 75.04 110.877 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.5 m -134.32 175.73 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 52.25 111.103 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.85 -42.83 76.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 71.23 111.13 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -54.93 -33.87 62.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.854 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -31.88 72.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.871 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.72 127.29 36.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 53.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.65 -29.51 68.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 32.03 110.914 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.7 t -83.72 -16.56 44.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 73.3 110.842 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt 64.57 46.63 3.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 71.41 110.892 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.7 mmt-85 -130.14 32.66 4.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 72.42 110.867 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.94 150.99 23.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 43.43 110.933 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.412 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.64 151.21 52.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 72.2 110.878 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -67.06 -30.06 70.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.907 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.412 ' HB2' HD23 ' A' ' 26' ' ' LEU . 97.9 m-85 -86.46 -50.59 6.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 71.23 110.882 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.24 -40.68 81.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 61.12 111.094 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.45 10.24 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 72.24 111.112 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.52 140.04 33.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 62.44 110.89 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.98 113.61 1.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 65.14 110.887 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.06 133.03 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 71.52 111.154 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 75.31 110.845 -179.862 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.861 0.363 . . . . 74.52 110.825 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -140.6 99.62 3.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 63.52 110.942 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.43 139.17 38.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 73.52 110.877 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.96 92.22 3.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 73.35 110.949 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -128.0 126.89 42.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 62.22 110.819 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -133.18 134.9 44.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 73.21 110.842 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.72 -53.28 4.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.859 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.14 103.92 1.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 75.25 110.925 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -81.79 -172.89 4.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 74.25 110.897 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.411 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.6 mm -61.44 121.1 8.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.425 . . . . 72.53 111.122 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.0 2.34 42.18 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.786 -0.721 . . . . 50.44 112.473 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -90.29 175.13 7.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.88 0.372 . . . . 72.23 110.873 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -103.28 142.34 34.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 65.33 110.809 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.41 145.78 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 62.05 110.894 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -88.35 -33.15 18.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 75.04 110.944 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.9 m -134.59 175.89 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 52.25 111.195 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -42.77 76.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 71.23 111.088 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.94 -33.81 62.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 72.23 110.858 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -61.95 -31.83 72.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 72.44 110.874 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.62 127.19 36.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 53.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.72 -29.33 68.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 32.03 110.888 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.1 t -83.88 -16.44 44.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 73.3 110.885 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt 64.54 46.41 3.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 71.41 110.92 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -129.86 32.64 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 72.42 110.849 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.0 151.08 23.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 43.43 110.847 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.414 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.64 151.21 52.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 72.2 110.92 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -67.11 -29.96 69.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 74.42 110.9 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.414 ' HB2' HD23 ' A' ' 26' ' ' LEU . 97.9 m-85 -86.6 -50.51 6.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 71.23 110.921 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.21 -40.74 82.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 61.12 111.103 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.51 10.25 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 72.24 111.066 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.57 139.99 33.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 62.44 110.844 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.97 113.6 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 65.14 110.869 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.01 133.1 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 71.52 111.187 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.838 -179.798 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.769 0.319 . . . . 74.52 110.91 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -66.15 176.5 1.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 63.52 110.954 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -148.46 46.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 73.52 110.932 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 57.98 95.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 73.35 110.941 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -67.49 138.3 56.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 62.22 110.907 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -97.39 178.63 5.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 73.21 110.939 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.7 -53.26 4.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 74.31 110.896 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.1 103.86 1.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 75.25 110.913 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -81.73 -172.96 4.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 74.25 110.92 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.413 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.8 mm -61.47 120.99 8.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 72.53 111.15 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.23 2.25 41.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 50.44 112.5 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -90.28 175.11 7.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.761 0.315 . . . . 72.23 110.927 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -103.22 142.32 34.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 65.33 110.888 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.38 145.77 4.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 62.05 110.898 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -88.33 -33.21 18.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 75.04 110.884 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 m -134.58 175.91 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 52.25 111.109 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.83 -42.89 76.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 71.23 111.069 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -54.85 -33.89 62.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 72.23 110.853 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.79 -31.91 72.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 72.44 110.908 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.65 127.28 36.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 53.0 110.804 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -29.28 68.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 32.03 110.785 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.8 t -83.98 -16.44 44.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 73.3 110.861 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt 64.55 46.3 3.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 71.41 110.943 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -129.75 32.68 4.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 72.42 110.89 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.01 151.07 23.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 43.43 110.903 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.411 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.67 151.22 52.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 72.2 110.908 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -67.11 -30.0 69.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.925 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.411 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.51 -50.51 6.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 71.23 110.978 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.18 -40.77 82.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 61.12 111.104 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.48 10.28 3.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 72.24 111.047 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.56 140.05 33.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.42 . . . . 62.44 110.89 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.413 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.94 113.64 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 65.14 110.9 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.11 133.16 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 71.52 111.167 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 75.31 110.866 -179.88 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.804 0.335 . . . . 74.52 110.921 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -121.1 39.0 3.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 63.52 110.878 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -160.43 48.1 0.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.252 -0.431 . . . . 73.52 110.912 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -125.48 80.02 1.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 73.35 110.916 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -96.51 112.56 24.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 62.22 110.879 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.6 pm0 -72.71 148.49 44.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.861 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.61 -53.33 4.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.955 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.05 103.92 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 75.25 110.931 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -81.89 -172.94 4.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 74.25 110.927 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.407 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.6 mm -61.36 121.06 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 72.53 111.09 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.08 2.3 41.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 50.44 112.504 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -90.28 174.97 7.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 72.23 110.878 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -103.17 142.33 34.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 65.33 110.815 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.42 145.75 4.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 62.05 110.857 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -88.27 -33.29 18.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 75.04 110.983 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.6 m -134.49 175.91 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 52.25 111.119 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.86 -42.81 76.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 71.23 111.112 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -33.88 62.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.853 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.83 -31.83 72.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 72.44 110.971 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.68 127.17 36.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 53.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.67 -29.38 68.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 32.03 110.912 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.2 t -83.85 -16.53 44.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 73.3 110.816 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt 64.58 46.38 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 71.41 110.906 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -129.84 32.74 4.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 72.42 110.841 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.02 151.02 23.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 43.43 110.921 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.417 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.65 151.18 52.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 72.2 110.868 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -67.17 -29.95 69.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 74.42 110.848 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.417 ' HB2' HD23 ' A' ' 26' ' ' LEU . 97.9 m-85 -86.53 -50.52 6.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 71.23 110.933 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.23 -40.79 81.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 61.12 111.125 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.47 10.29 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 72.24 111.141 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.56 140.04 33.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 62.44 110.906 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.9 113.63 1.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 65.14 110.903 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.04 133.12 64.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 71.52 111.101 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 75.31 110.908 -179.888 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.826 0.346 . . . . 74.52 110.842 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -135.84 -64.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 63.52 110.867 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -118.62 47.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 73.52 110.872 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -72.72 124.08 24.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 73.35 110.937 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 63.28 104.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 62.22 110.901 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -71.53 177.24 4.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 73.21 110.867 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.58 -53.38 4.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.925 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.04 103.95 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 75.25 110.945 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -81.83 -172.86 4.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.877 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.412 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.6 mm -61.46 121.03 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 72.53 111.157 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.15 2.15 41.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 50.44 112.494 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -90.14 175.14 7.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 72.23 110.928 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -103.27 142.31 34.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 65.33 110.85 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.48 145.86 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 62.05 110.853 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -88.41 -33.25 17.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 75.04 110.914 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.0 m -134.43 175.89 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 52.25 111.131 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.89 -42.75 76.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 71.23 111.135 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.91 -33.88 62.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 72.23 110.843 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -61.96 -31.73 72.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 72.44 110.878 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.75 127.3 36.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 53.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -29.28 68.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 32.03 110.866 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.9 -16.51 44.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 73.3 110.858 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt 64.58 46.32 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 71.41 110.856 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 mmt-85 -129.77 32.71 4.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 72.42 110.866 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.06 151.08 23.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 43.43 110.797 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.411 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.67 151.18 52.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 72.2 110.886 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -67.07 -29.99 69.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 74.42 110.884 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.411 ' HB2' HD23 ' A' ' 26' ' ' LEU . 97.9 m-85 -86.6 -50.5 6.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.15 -0.477 . . . . 71.23 110.871 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.19 -40.8 82.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 61.12 111.098 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.49 10.29 3.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 72.24 111.077 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.62 140.02 33.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 62.44 110.887 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.08 113.68 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 65.14 110.842 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.01 133.09 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 71.52 111.176 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.892 -179.824 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.778 0.323 . . . . 74.52 110.869 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -163.89 -64.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 63.52 110.905 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -84.62 160.36 20.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 73.52 110.912 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 62.57 99.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.844 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -96.65 38.97 1.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 62.22 110.89 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 53.62 -173.24 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.941 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.65 -53.33 4.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 74.31 110.898 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.06 103.85 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 75.25 110.938 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -81.77 -172.98 4.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 74.25 110.967 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.409 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.5 mm -61.29 120.9 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.307 -0.406 . . . . 72.53 111.117 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.25 2.41 41.47 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 50.44 112.53 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -90.45 175.13 7.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.949 0.404 . . . . 72.23 110.839 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -103.29 142.17 34.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 65.33 110.855 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.3 145.77 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 62.05 110.84 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -88.26 -33.18 18.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 75.04 110.899 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.404 HG23 ' H ' ' A' ' 19' ' ' GLU . 16.8 m -134.64 175.97 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 52.25 111.1 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.72 -42.96 76.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 71.23 111.145 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.94 -33.77 62.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.85 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.404 ' H ' HG23 ' A' ' 16' ' ' VAL . 2.0 mm-40 -61.97 -31.7 72.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 72.44 110.902 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.69 127.25 36.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 53.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -29.19 68.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 32.03 110.906 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.1 t -84.02 -16.5 43.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 73.3 110.845 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt 64.57 46.48 3.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 71.41 110.913 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -130.01 32.77 4.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 72.42 110.863 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.08 151.14 22.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 43.43 110.849 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.409 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.66 151.18 52.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 72.2 110.948 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -67.07 -30.05 69.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 74.42 110.818 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.409 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.53 -50.55 6.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 71.23 110.931 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.12 -40.84 82.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 61.12 111.069 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.46 10.33 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.399 . . . . 72.24 111.067 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.57 140.01 33.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 62.44 110.931 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.02 113.79 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 65.14 110.902 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.26 133.12 65.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 71.52 111.126 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 75.31 110.812 -179.812 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.762 0.315 . . . . 74.52 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -86.28 -68.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 63.52 110.914 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -139.51 148.68 42.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 73.52 110.883 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -170.52 149.1 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 73.35 110.928 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 63.19 104.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 62.22 110.918 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -81.08 156.27 25.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 73.21 110.907 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.74 -53.32 4.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.858 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.02 104.0 1.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.891 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -81.78 -172.7 4.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 74.25 110.856 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.408 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.7 mm -61.73 121.07 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 72.53 111.159 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.2 2.21 41.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.736 . . . . 50.44 112.47 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -90.22 175.35 7.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.902 0.382 . . . . 72.23 110.857 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -103.5 142.24 34.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 65.33 110.795 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.37 145.85 4.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 62.05 110.889 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -88.32 -33.24 18.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.136 -0.484 . . . . 75.04 110.909 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 m -134.52 175.9 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 52.25 111.115 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.87 -42.81 76.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 71.23 111.096 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.88 -33.9 62.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 72.23 110.868 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -61.81 -31.91 72.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.883 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.63 127.23 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 53.0 110.826 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -29.13 67.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 32.03 110.946 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 t -84.01 -16.47 43.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 73.3 110.86 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt 64.51 46.56 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.055 -0.52 . . . . 71.41 110.977 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 mmt-85 -130.16 32.71 4.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 72.42 110.806 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.03 151.11 23.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 43.43 110.858 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.408 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.7 151.14 52.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 72.2 110.848 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -67.05 -29.99 69.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 74.42 110.9 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.408 ' HB2' HD23 ' A' ' 26' ' ' LEU . 97.9 m-85 -86.56 -50.54 6.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 71.23 110.926 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.16 -40.78 82.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 61.12 111.111 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.36 10.38 3.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 72.24 111.087 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.53 139.94 33.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 62.44 110.904 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.408 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.99 113.72 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 65.14 110.936 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.11 133.09 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 71.52 111.186 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 75.31 110.913 -179.818 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.4 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.869 0.366 . . . . 74.52 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -122.1 132.57 54.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 63.52 110.887 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -154.75 52.56 0.64 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.45 . . . . 73.52 110.839 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -116.22 118.05 31.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 73.35 110.908 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.45 37.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 62.22 110.894 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 53.72 -173.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 73.21 110.932 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.7 -53.32 4.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.882 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.06 103.95 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 75.25 110.889 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -81.78 -173.1 4.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.884 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.412 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.6 mm -61.27 120.88 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 72.53 111.164 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.27 2.41 41.4 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.716 -0.754 . . . . 50.44 112.461 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -90.48 175.14 7.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.947 0.403 . . . . 72.23 110.814 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -103.22 142.24 34.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 65.33 110.874 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.37 145.7 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 62.05 110.823 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -88.09 -33.28 18.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.516 . . . . 75.04 110.981 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.3 m -134.57 176.06 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.507 . . . . 52.25 111.112 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.94 -42.87 76.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 71.23 111.06 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.89 -33.91 62.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 72.23 110.767 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.84 -31.87 72.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 72.44 110.935 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.57 127.31 36.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 53.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -29.22 68.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 32.03 110.867 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.9 t -84.07 -16.46 43.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 73.3 110.826 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 64.56 46.3 3.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.884 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.77 32.71 4.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 72.42 110.818 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.03 151.11 23.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 43.43 110.936 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.413 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.62 151.17 52.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 72.2 110.896 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -67.08 -30.04 69.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.868 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.413 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.55 -50.5 6.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 71.23 110.915 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.23 -40.74 81.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 61.12 111.077 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.47 10.28 3.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 72.24 111.113 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.54 140.06 33.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 62.44 110.894 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.09 113.66 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 65.14 110.841 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.12 133.14 64.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 71.52 111.151 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 75.31 110.864 -179.9 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.839 0.352 . . . . 74.52 110.878 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -144.99 173.0 12.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 63.52 110.892 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -148.17 152.67 37.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 73.52 110.923 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -143.98 96.99 2.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 73.35 110.917 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.4 ttm-85 -88.81 138.08 31.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 62.22 110.84 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -125.02 139.43 53.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.93 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.63 -53.35 4.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.895 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.1 103.95 1.29 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 75.25 110.973 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -81.72 -172.52 3.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 74.25 110.935 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.411 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.8 mm -61.82 121.37 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.317 -0.401 . . . . 72.53 111.117 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.82 2.12 42.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.806 -0.712 . . . . 50.44 112.512 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -89.91 175.47 7.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.883 0.373 . . . . 72.23 110.844 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -103.76 142.21 34.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 65.33 110.838 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.34 145.88 4.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 62.05 110.863 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -88.31 -33.14 18.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.934 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.457 HG22 ' OE1' ' A' ' 19' ' ' GLU . 10.0 m -134.66 175.82 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 52.25 111.172 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.78 -42.79 76.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 71.23 111.135 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -54.83 -33.9 62.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 72.23 110.922 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.457 ' OE1' HG22 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -61.88 -31.8 72.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.912 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.77 127.28 36.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 53.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -29.14 67.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 32.03 110.876 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.1 t -84.12 -16.45 43.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 73.3 110.816 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt 64.58 46.0 3.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 71.41 110.871 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.33 32.58 4.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.863 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.93 150.99 23.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 43.43 110.885 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.419 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.7 151.21 52.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 72.2 110.878 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -67.08 -29.84 69.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 74.42 110.95 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.419 ' HB2' HD23 ' A' ' 26' ' ' LEU . 97.9 m-85 -86.61 -50.61 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 71.23 110.864 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.23 -40.83 81.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 61.12 111.052 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.46 10.29 3.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 72.24 111.135 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.54 139.8 33.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 62.44 110.802 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.7 113.55 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 65.14 110.901 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -116.97 133.1 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 71.52 111.126 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 75.31 110.899 -179.881 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 72.4 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.799 0.333 . . . . 74.52 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 59.35 38.84 22.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 63.52 110.92 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -133.23 -178.26 4.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 73.52 110.851 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -147.01 93.57 2.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 73.35 110.97 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -65.34 112.42 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 62.22 110.857 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -73.4 -173.11 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 73.21 110.877 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.59 -53.31 4.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.31 110.877 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.07 104.18 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 75.25 110.874 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -81.55 -171.0 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.25 110.861 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.406 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.4 mm -63.34 121.74 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 72.53 111.118 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.55 2.13 43.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 50.44 112.551 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -89.59 176.35 6.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.894 0.378 . . . . 72.23 110.881 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -104.9 141.62 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 65.33 110.883 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -166.86 145.97 5.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 62.05 110.852 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -88.21 -33.24 18.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 75.04 110.876 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.8 m -134.56 175.97 9.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 52.25 111.125 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.78 -42.71 77.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 71.23 111.166 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -54.91 -33.9 62.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.23 110.797 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.82 -31.82 72.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 72.44 110.941 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 127.31 36.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 53.0 110.812 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -29.08 68.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 32.03 110.874 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.04 -16.43 43.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 73.3 110.858 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt 64.54 45.59 3.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.072 -0.513 . . . . 71.41 110.893 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.89 32.68 4.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 72.42 110.891 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.09 151.13 22.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 43.43 110.834 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.405 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 12.3 tp -132.6 151.16 52.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 72.2 110.889 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -66.99 -30.19 70.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 74.42 110.902 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -86.68 -50.31 6.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 71.23 110.916 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.405 ' HB3' ' HB3' ' A' ' 26' ' ' LEU . . . -68.14 -40.72 82.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 61.12 111.041 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.29 10.35 3.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 72.24 111.099 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.59 139.8 33.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 62.44 110.907 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.406 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.03 113.5 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 65.14 110.921 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -116.75 133.07 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 71.52 111.142 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 75.31 110.912 -179.889 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.819 0.342 . . . . 74.52 110.901 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -99.71 163.09 12.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 63.52 110.907 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.24 160.8 17.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 73.52 110.865 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 59.33 96.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 73.35 110.85 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -65.4 142.64 58.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 62.22 110.809 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -80.47 177.5 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 73.21 110.963 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.64 -53.38 4.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 74.31 110.88 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.5 103.81 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 75.25 110.903 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -81.87 -172.83 4.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 74.25 110.876 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.408 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.3 mm -61.5 121.19 9.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 72.53 111.095 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.05 2.3 42.03 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.744 -0.741 . . . . 50.44 112.539 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -90.32 175.15 7.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.835 0.35 . . . . 72.23 110.938 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -103.46 142.15 34.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 65.33 110.818 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.3 146.05 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 62.05 110.888 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -88.49 -33.38 17.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 75.04 110.9 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.1 m -134.29 175.8 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 52.25 111.111 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -42.85 76.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 71.23 111.136 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -54.85 -33.82 62.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.23 110.917 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.89 -31.77 72.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 72.44 110.906 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.82 127.35 36.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 53.0 110.83 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -29.27 68.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 32.03 110.947 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.9 t -83.92 -16.5 44.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 73.3 110.818 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt 64.48 46.51 3.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 71.41 110.937 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 mmt-85 -129.91 32.63 4.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 72.42 110.914 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.89 151.01 23.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 43.43 110.899 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.409 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.71 151.2 52.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 72.2 110.952 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -67.14 -29.95 69.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.904 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.409 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.5 -50.52 6.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 71.23 110.993 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.24 -40.73 81.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 61.12 111.115 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.52 10.28 3.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 72.24 111.095 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.58 139.95 33.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 62.44 110.832 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.408 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.91 113.57 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 65.14 110.902 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.08 133.13 64.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 71.52 111.076 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 75.31 110.816 -179.837 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.805 0.335 . . . . 74.52 110.877 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -162.71 119.65 1.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 63.52 110.949 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.62 149.8 29.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 73.52 110.876 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 59.23 94.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 73.35 110.85 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -97.06 104.98 17.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 62.22 110.913 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -94.89 177.51 5.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 73.21 110.937 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.72 -53.29 4.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.87 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.59 103.91 1.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 75.25 110.903 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -81.62 -171.33 3.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.25 110.95 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.407 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.3 mm -62.92 121.34 11.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 72.53 111.132 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.01 2.54 42.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.795 -0.717 . . . . 50.44 112.504 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -90.2 176.04 6.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.362 . . . . 72.23 110.886 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -104.55 141.97 35.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 65.33 110.799 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -167.17 146.0 5.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 62.05 110.922 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -88.39 -32.95 18.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 75.04 110.908 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.5 m -134.69 175.88 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 52.25 111.079 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.92 -42.85 76.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 71.23 111.043 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.88 -33.82 62.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 72.23 110.819 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.97 -31.79 72.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 72.44 110.868 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.74 127.29 36.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 53.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.78 -29.3 68.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 32.03 110.842 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.82 -16.44 44.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 73.3 110.913 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt 64.5 46.33 3.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.113 -0.494 . . . . 71.41 110.871 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -129.82 32.61 4.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 72.42 110.854 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.03 151.18 22.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 43.43 110.845 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.403 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.67 151.12 52.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 72.2 110.96 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -67.15 -30.02 69.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.424 . . . . 74.42 110.926 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.403 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.1 m-85 -86.59 -50.48 6.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 71.23 110.888 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.11 -40.81 82.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 61.12 111.101 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.44 10.38 3.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 72.24 111.022 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.48 139.92 33.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 62.44 110.939 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.21 113.63 1.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 65.14 110.875 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.07 133.16 64.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 71.52 111.091 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.838 -179.852 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.776 0.322 . . . . 74.52 110.928 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -131.79 143.93 50.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 63.52 110.944 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.08 160.71 27.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 73.52 110.828 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -170.31 40.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 73.35 110.899 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -100.99 39.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 62.22 110.81 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -77.96 159.95 28.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 73.21 110.945 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.52 -53.4 4.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 74.31 110.958 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.48 103.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 75.25 110.964 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -81.84 -173.08 4.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.938 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.41 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.6 mm -61.21 120.87 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 72.53 111.13 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.4 2.39 41.02 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.753 -0.737 . . . . 50.44 112.495 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -90.44 174.86 7.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 72.23 110.943 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -103.07 142.19 34.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 65.33 110.886 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.31 145.92 4.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 62.05 110.814 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -88.46 -33.13 17.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.51 . . . . 75.04 110.947 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.1 m -134.6 175.81 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 52.25 111.088 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.91 -42.9 76.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 71.23 111.058 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -54.83 -33.86 62.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.875 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -31.86 72.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 72.44 110.882 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.69 127.32 36.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 53.0 110.812 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -29.28 68.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 32.03 110.879 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.3 t -83.91 -16.52 43.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 73.3 110.861 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt 64.54 46.32 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 71.41 110.898 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 mmt-85 -129.78 32.68 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 72.42 110.915 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.03 150.99 23.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 43.43 110.875 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.414 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.6 151.14 52.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 72.2 110.954 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -67.02 -30.08 70.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.42 110.871 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.414 ' HB2' HD23 ' A' ' 26' ' ' LEU . 97.9 m-85 -86.47 -50.53 6.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 71.23 110.96 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.22 -40.67 82.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 61.12 111.16 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.47 10.24 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 72.24 111.129 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.54 140.0 33.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 62.44 110.891 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.93 113.58 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 65.14 110.906 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.06 133.16 64.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 71.52 111.163 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.6 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 75.31 110.813 -179.871 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.814 0.34 . . . . 74.52 110.928 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.28 -178.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 63.52 110.909 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -163.54 127.89 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 73.52 110.929 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -137.35 169.94 16.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 73.35 110.904 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.1 ttm-85 63.24 104.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 62.22 110.89 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.47 163.68 8.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 73.21 110.908 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.73 -53.38 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 74.31 110.833 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.51 103.98 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 75.25 110.901 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.63 -171.07 3.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 74.25 110.868 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.412 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.5 mm -63.26 121.4 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 72.53 111.105 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.91 2.67 42.54 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.714 -0.755 . . . . 50.44 112.486 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -90.29 176.3 6.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.884 0.374 . . . . 72.23 110.87 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -104.78 141.9 35.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 65.33 110.88 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -167.17 146.06 5.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 62.05 110.842 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -88.29 -33.07 18.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.887 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.9 m -134.68 175.98 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 52.25 111.136 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.96 -42.85 76.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 71.23 111.064 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -54.79 -33.88 61.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.227 -0.442 . . . . 72.23 110.868 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -31.84 72.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.456 . . . . 72.44 110.871 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.88 127.31 36.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 53.0 110.794 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -29.25 68.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 32.03 110.947 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.4 t -83.78 -16.53 44.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 73.3 110.847 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.54 46.22 3.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 71.41 110.909 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 mmt-85 -129.71 32.75 4.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 72.42 110.857 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.16 151.16 22.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 43.43 110.807 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.4 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.67 151.17 52.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 72.2 110.935 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -67.15 -30.02 69.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.869 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.4 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.63 -50.4 6.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 71.23 110.922 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.19 -40.76 82.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 61.12 111.143 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.39 10.3 3.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 72.24 111.129 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.42 139.89 33.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 62.44 110.884 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.04 113.45 1.02 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 65.14 110.913 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.0 133.11 64.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 71.52 111.123 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 75.31 110.845 -179.849 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.815 0.341 . . . . 74.52 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.04 -50.31 9.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 63.52 110.857 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -65.55 147.31 53.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 73.52 110.878 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -150.41 56.82 0.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 73.35 110.872 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 ttm-85 -98.92 39.53 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 62.22 110.882 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -105.78 146.51 29.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 73.21 110.945 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.65 -53.31 4.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.845 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.52 103.88 1.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.881 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.8 mtmt -81.9 -173.05 4.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 74.25 110.92 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.415 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.5 mm -61.27 120.91 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.415 . . . . 72.53 111.143 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.38 2.26 41.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 50.44 112.51 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -90.36 174.96 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.38 . . . . 72.23 110.857 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -103.19 142.24 34.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 65.33 110.869 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.38 145.91 4.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 62.05 110.903 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -88.35 -33.41 17.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 75.04 110.92 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.5 m -134.37 175.88 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 52.25 111.109 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.0 -42.74 76.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 71.23 111.085 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -54.9 -33.89 62.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 72.23 110.874 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -31.71 72.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.922 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.79 127.37 36.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 53.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -29.26 68.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 32.03 110.853 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.6 t -83.85 -16.59 43.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 73.3 110.908 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt 64.49 46.5 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 71.41 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.96 32.74 4.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.785 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.05 150.97 23.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 43.43 110.792 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.412 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.58 151.18 52.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 72.2 110.99 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -67.1 -29.99 69.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.891 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.412 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.54 -50.48 6.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 71.23 110.941 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.21 -40.83 82.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 61.12 111.036 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.5 10.35 3.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 72.24 111.08 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.57 140.08 33.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 62.44 110.911 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.415 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.08 113.68 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 65.14 110.906 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.18 133.09 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 71.52 111.148 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.6 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.817 -179.804 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.81 0.338 . . . . 74.52 110.85 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.01 102.46 11.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 63.52 110.89 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -132.08 43.07 3.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 73.52 110.842 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -97.47 147.04 24.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.86 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 63.26 104.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 62.22 110.89 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -123.85 143.88 50.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 73.21 110.923 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.64 -53.33 4.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 74.31 110.867 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.54 103.8 1.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 75.25 110.939 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.77 -172.69 4.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 74.25 110.873 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.412 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.7 mm -61.65 121.06 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 72.53 111.163 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.3 2.41 41.32 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.725 -0.75 . . . . 50.44 112.443 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -90.45 175.07 7.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.813 0.34 . . . . 72.23 110.956 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -103.35 142.19 34.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 65.33 110.887 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 p -167.35 145.89 4.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 62.05 110.875 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -88.34 -33.16 18.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 75.04 110.945 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.7 m -134.58 175.75 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.514 . . . . 52.25 111.093 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.8 -42.89 76.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 71.23 111.138 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.87 -33.84 62.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 72.23 110.852 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.88 -31.75 72.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 72.44 110.943 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.82 127.29 36.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 53.0 110.826 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.73 -29.33 68.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 32.03 110.936 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.81 -16.57 44.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 73.3 110.787 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.54 46.49 3.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 71.41 110.855 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -129.97 32.7 4.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 72.42 110.877 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.01 151.02 23.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 43.43 110.847 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.409 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.63 151.27 52.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 72.2 110.903 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -67.22 -29.93 69.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.887 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.409 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.54 -50.59 6.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 71.23 110.884 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.11 -40.74 82.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 61.12 111.124 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.45 10.37 3.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 72.24 111.113 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.64 140.03 33.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.17 -0.468 . . . . 62.44 110.838 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.0 113.59 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 65.14 110.905 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -117.07 133.17 64.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 71.52 111.147 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 75.31 110.835 -179.867 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.849 0.357 . . . . 74.52 110.883 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -79.97 102.93 9.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 63.52 110.91 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -141.68 137.08 31.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.28 -0.418 . . . . 73.52 110.9 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -138.63 130.63 28.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 73.35 110.888 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -87.46 124.94 33.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 62.22 110.851 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -66.55 176.16 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 73.21 110.923 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.68 -53.29 4.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 74.31 110.922 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.58 103.95 1.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 75.25 110.863 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.66 -170.93 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 74.25 110.889 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.414 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.5 mm -63.33 121.57 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 72.53 111.156 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.75 2.58 43.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.748 . . . . 50.44 112.503 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -90.15 176.22 6.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.863 0.363 . . . . 72.23 110.9 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -104.82 141.84 35.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 65.33 110.815 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -167.07 146.06 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 62.05 110.882 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -88.18 -33.3 18.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 75.04 110.921 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.44 HG23 ' H ' ' A' ' 19' ' ' GLU . 28.0 m -134.53 176.07 9.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 52.25 111.109 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.95 -42.78 76.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 71.23 111.069 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -55.0 -33.78 62.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 72.23 110.875 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.44 ' H ' HG23 ' A' ' 16' ' ' VAL . 7.8 mm-40 -61.82 -31.83 72.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.858 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.86 127.28 36.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 53.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -29.48 68.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 32.03 110.929 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -83.61 -16.53 44.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 73.3 110.917 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.56 46.31 3.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 71.41 110.948 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -129.77 32.71 4.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 72.42 110.937 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -88.0 151.12 23.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 43.43 110.849 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.403 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.68 151.23 52.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 72.2 110.877 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -67.06 -30.21 70.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 74.42 110.9 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.403 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.1 m-85 -86.51 -50.52 6.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 71.23 110.888 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.13 -40.7 82.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 61.12 111.128 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.35 10.25 3.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 72.24 111.127 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.45 139.88 33.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 62.44 110.902 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.414 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.06 113.53 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 65.14 110.896 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -116.92 133.02 64.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 71.52 111.14 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 75.31 110.8 -179.84 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.799 0.333 . . . . 74.52 110.85 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -54.66 -72.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 63.52 110.873 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.53 164.81 11.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 73.52 110.892 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -139.33 146.27 40.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.917 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -57.38 127.57 32.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 62.22 110.83 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -63.59 165.69 7.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.935 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.69 -53.24 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.929 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.66 103.97 1.38 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 75.25 110.84 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.58 -171.05 3.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.903 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.416 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.5 mm -63.34 121.51 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 72.53 111.115 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.89 2.65 42.63 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.737 -0.744 . . . . 50.44 112.468 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -90.23 176.13 6.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 72.23 110.857 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -104.69 141.76 35.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 65.33 110.794 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -166.98 146.02 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 62.05 110.87 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -88.25 -33.18 18.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 75.04 110.954 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 m -134.5 175.95 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 52.25 111.139 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.98 -42.79 76.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 71.23 111.083 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -54.9 -33.78 62.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.925 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -31.8 72.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 72.44 110.962 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.89 127.35 36.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 53.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -29.41 68.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 32.03 110.867 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.3 t -83.68 -16.56 44.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 73.3 110.867 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm 64.56 46.35 3.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 71.41 110.923 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -129.82 32.59 4.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 72.42 110.877 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.95 151.14 23.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 43.43 110.88 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.402 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.67 151.2 52.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 72.2 110.864 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -67.08 -30.2 70.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 74.42 110.859 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.402 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.53 -50.47 6.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 71.23 110.964 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.11 -40.74 82.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 61.12 111.133 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.32 10.37 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 72.24 111.144 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.57 139.76 33.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 62.44 110.91 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.416 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.93 113.44 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 65.14 110.871 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -116.97 133.02 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 71.52 111.165 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 75.31 110.862 -179.818 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.526 0.041 0 CA-C-O 120.808 0.337 . . . . 74.52 110.831 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -89.01 165.02 14.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 63.52 110.916 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -137.6 137.51 38.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 73.52 110.89 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -149.91 154.1 37.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.35 110.921 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -110.31 115.13 29.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 62.22 110.81 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -59.65 165.73 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 73.21 110.957 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.66 -53.29 4.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.931 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -160.54 103.93 1.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 75.25 110.898 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.54 -171.02 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 74.25 110.937 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.408 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.3 mm -63.26 121.4 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 72.53 111.127 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.89 2.75 42.64 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 50.44 112.476 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -90.32 176.18 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.881 0.372 . . . . 72.23 110.931 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -104.67 141.94 35.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 65.33 110.889 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.5 p -167.18 146.04 5.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 62.05 110.869 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -88.32 -33.0 18.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 75.04 110.948 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.3 m -134.74 175.87 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 52.25 111.114 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.8 -42.81 76.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 71.23 111.143 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -54.92 -33.79 62.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 72.23 110.847 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -31.87 72.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.859 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.85 127.4 36.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 53.0 110.812 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.84 -29.3 68.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 32.03 110.861 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -83.76 -16.59 44.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 73.3 110.848 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt 64.57 46.24 3.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 71.41 110.882 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mmt-85 -129.69 32.62 4.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 72.42 110.896 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.99 151.07 23.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 43.43 110.844 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.4 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.3 tp -132.68 151.17 52.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 72.2 110.911 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -67.04 -30.13 70.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 74.42 110.889 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.4 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.1 m-85 -86.58 -50.48 6.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 71.23 110.843 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.2 -40.68 82.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 61.12 111.102 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.39 10.32 3.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 72.24 111.081 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.46 139.84 33.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 62.44 110.872 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.408 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -52.03 113.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 65.14 110.868 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -116.99 133.07 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 71.52 111.122 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.836 -179.843 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.1 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.822 0.344 . . . . 74.52 110.818 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -137.11 -44.69 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 63.52 110.932 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -105.12 155.6 18.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 73.52 110.947 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -120.78 51.0 1.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 73.35 110.89 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 58.62 38.59 25.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 62.22 110.846 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -73.51 170.52 14.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 73.21 110.843 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.62 -53.31 4.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.881 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.54 103.81 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 75.25 110.893 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -81.87 -173.03 4.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.868 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.408 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.5 mm -61.45 121.18 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 72.53 111.082 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.19 2.2 41.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 50.44 112.549 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -90.33 175.06 7.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.973 0.416 . . . . 72.23 110.803 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -103.29 142.17 34.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.073 -0.512 . . . . 65.33 110.888 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.7 p -167.27 145.93 4.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.268 -0.423 . . . . 62.05 110.907 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -88.39 -33.24 17.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 75.04 110.971 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.6 m -134.47 175.85 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 52.25 111.126 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -42.81 76.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 71.23 111.141 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.95 -33.82 62.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 72.23 110.877 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -61.89 -31.79 72.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 72.44 110.897 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.74 127.34 36.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 53.0 110.809 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.78 -29.37 68.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 32.03 110.831 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.0 t -83.89 -16.51 44.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.3 110.79 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt 64.53 46.49 3.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 71.41 110.914 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.0 mmt-85 -129.95 32.66 4.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 72.42 110.836 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.95 150.95 23.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 43.43 110.923 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.412 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.65 151.23 52.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 72.2 110.847 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -67.1 -30.05 69.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 74.42 110.874 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.412 ' HB2' HD23 ' A' ' 26' ' ' LEU . 98.0 m-85 -86.49 -50.49 6.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 71.23 110.963 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.21 -40.84 82.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 61.12 111.03 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.5 10.33 3.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 72.24 111.037 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.52 139.98 33.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 62.44 110.899 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.408 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.94 113.62 1.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 65.14 110.904 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.13 133.09 64.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 71.52 111.111 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.843 -179.848 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.8 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.789 0.328 . . . . 74.52 110.843 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -121.22 -71.34 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 63.52 110.933 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -127.68 -179.77 5.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 73.52 110.885 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -135.75 -172.86 3.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 73.35 110.984 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -89.5 117.96 28.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 62.22 110.897 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -70.57 153.85 42.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 73.21 110.832 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.0 m -91.6 -53.34 4.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 74.31 110.871 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -160.55 103.79 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 75.25 110.864 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -81.77 -172.94 4.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 74.25 110.855 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.409 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 44.3 mm -61.44 121.27 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 72.53 111.134 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.04 2.16 42.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 50.44 112.468 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -90.08 174.95 7.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 72.23 110.838 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -103.24 142.42 34.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.105 -0.498 . . . . 65.33 110.812 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.8 p -167.6 146.03 4.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 62.05 110.894 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -88.61 -33.23 17.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 75.04 110.877 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.5 m -134.32 175.73 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 52.25 111.103 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.85 -42.83 76.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 71.23 111.13 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -54.93 -33.87 62.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.854 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -31.88 72.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.871 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.72 127.29 36.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 53.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.65 -29.51 68.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 32.03 110.914 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.7 t -83.72 -16.56 44.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 73.3 110.842 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt 64.57 46.63 3.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 71.41 110.892 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.7 mmt-85 -130.14 32.66 4.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 72.42 110.867 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -87.94 150.99 23.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 43.43 110.933 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.412 HD23 ' HB2' ' A' ' 28' ' ' TYR . 12.2 tp -132.64 151.21 52.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 72.2 110.878 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -67.06 -30.06 70.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.907 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.412 ' HB2' HD23 ' A' ' 26' ' ' LEU . 97.9 m-85 -86.46 -50.59 6.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 71.23 110.882 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.24 -40.68 81.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 61.12 111.094 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.45 10.24 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 72.24 111.112 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.52 140.04 33.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 62.44 110.89 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -51.98 113.61 1.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 65.14 110.887 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.06 133.03 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 71.52 111.154 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 75.31 110.845 -179.862 . . . . . . . . 0 0 . 1 stop_ save_