data_2mxq_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2mxq _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.5 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.866 0.365 . . . . 72.2 110.83 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.3 m -160.96 82.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.24 111.109 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.75 97.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 70.32 110.9 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -136.22 155.68 49.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.864 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.87 99.27 6.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.856 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -172.2 152.78 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 73.15 111.102 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -59.72 -20.8 58.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 74.22 110.942 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 pp -121.38 177.92 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 74.33 111.143 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.0 m -129.34 -169.77 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 63.41 110.904 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -57.31 -74.78 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 74.52 110.852 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -167.17 115.58 0.82 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.932 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.18 27.84 24.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 54.22 112.487 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -64.11 161.11 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 74.43 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.49 127.72 53.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 64.35 110.886 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -72.83 142.31 48.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.871 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.34 23.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 72.4 110.886 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.21 167.14 23.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.761 . . . . 72.03 112.495 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.79 177.31 5.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 75.02 110.926 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.4 p -107.89 -176.43 3.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 71.35 110.906 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.4 pt -115.1 71.89 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 74.3 111.152 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.08 -42.52 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 72.53 110.836 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -114.57 -5.42 12.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 75.3 110.973 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.7 tttp 62.03 102.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 73.4 110.91 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.27 88.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 71.03 112.497 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -24.41 67.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.967 0.413 . . . . 65.35 110.862 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 t -175.62 -47.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 75.42 111.14 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -49.27 114.47 1.03 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.934 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.87 128.61 36.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 74.13 110.877 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.99 -170.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 61.54 110.931 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -163.98 141.95 7.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 75.45 110.876 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.0 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 71.04 110.883 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.4 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.879 0.371 . . . . 74.03 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m -161.66 84.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 73.02 111.16 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -68.0 87.26 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 73.24 110.919 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -140.75 172.43 12.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.894 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.94 113.44 18.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 73.01 110.871 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -178.56 143.48 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 64.23 111.138 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -59.26 -20.45 54.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.246 -0.434 . . . . 73.41 110.962 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 pp -115.37 177.2 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 73.23 111.141 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.6 m -130.4 -169.65 2.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 62.14 110.885 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -54.94 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.862 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 179.66 124.76 0.07 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.2 -0.454 . . . . 72.11 110.947 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.89 36.02 32.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 74.5 112.442 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.23 178.44 5.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 72.25 110.858 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.71 176.81 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 72.33 110.905 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -114.74 145.76 41.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.89 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.39 85.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 72.11 110.835 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.8 -168.92 31.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 62.41 112.512 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.13 -169.7 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 73.15 110.923 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -75.12 159.35 31.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 72.21 110.867 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -109.63 -20.59 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 64.42 111.09 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.0 -50.22 5.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 72.32 110.823 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -58.72 -76.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 71.3 110.924 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 mttt 178.62 -74.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 70.43 110.893 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.71 18.65 34.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 72.42 112.508 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 t -58.01 -23.96 56.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.968 0.413 . . . . 75.3 110.855 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.81 -71.93 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 72.44 111.168 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -46.32 115.83 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 73.44 110.933 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.05 130.92 42.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 71.32 110.878 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 mp -53.53 168.41 0.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 65.52 110.877 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.4 m -147.03 129.39 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 63.04 110.865 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.3 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 72.13 110.877 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.9 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.92 0.391 . . . . 70.14 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.6 m -51.55 125.31 14.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 74.44 111.168 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t -76.41 64.41 2.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 74.41 110.868 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -115.93 176.14 5.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 71.13 110.886 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.46 111.42 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 74.02 110.866 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -173.74 176.51 2.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 70.53 111.078 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.14 24.48 5.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 75.45 110.95 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 pp -149.98 179.47 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 74.45 111.151 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.5 m -145.97 174.55 11.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 55.4 110.877 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -51.12 -75.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.889 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -172.9 131.29 0.51 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.926 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.34 37.38 39.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 63.33 112.495 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -88.14 -175.5 5.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 75.3 110.869 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.93 160.28 42.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.13 110.927 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -81.35 114.53 20.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 64.01 110.893 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 t -136.94 70.12 1.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 73.52 110.879 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.93 -170.28 45.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 74.1 112.494 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.48 41.73 2.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 74.53 110.887 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 54.51 -176.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 72.21 110.939 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.1 pt -153.23 76.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 74.24 111.136 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -170.76 -74.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 64.41 110.885 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -68.31 -170.35 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 74.43 110.862 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -94.98 -169.41 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.936 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.13 115.7 1.21 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.764 -0.731 . . . . 54.1 112.517 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -52.04 -76.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.943 0.401 . . . . 55.12 110.84 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.58 24.35 5.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 74.11 111.119 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.28 166.85 4.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 74.45 110.906 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.73 133.38 14.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 74.33 110.85 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 pp -57.53 -174.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 74.21 110.942 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.9 m -135.73 99.5 4.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 74.03 110.872 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 70.12 110.847 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.882 0.372 . . . . 74.43 110.912 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 m -162.01 81.96 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 73.34 111.132 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.2 m -50.38 104.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 72.3 110.863 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 66.8 mtp85 -146.54 164.79 31.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 75.34 110.859 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.33 -167.48 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.871 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 66.07 174.82 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 75.51 111.099 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.47 19.46 8.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 72.45 110.889 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 pp -123.28 177.07 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 73.1 111.166 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.2 -173.25 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.891 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -50.49 -76.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.53 110.863 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -178.28 126.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 72.45 110.892 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.62 34.94 36.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 44.41 112.466 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -93.74 119.11 32.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.814 0.34 . . . . 74.4 110.895 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -59.1 135.22 57.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.875 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.75 149.6 21.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 74.35 110.847 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 m -166.69 74.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 72.5 110.868 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.97 -142.28 47.99 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 54.33 112.482 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.82 169.35 21.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 73.42 110.927 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.2 p -94.69 -2.04 51.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 64.11 110.886 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 77.5 mt 51.5 88.58 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 73.35 111.112 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -158.94 -74.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.869 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -65.36 164.42 13.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 75.13 110.95 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -169.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.885 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.64 143.82 8.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.695 -0.764 . . . . 71.14 112.487 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.8 t -64.93 -75.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.919 0.39 . . . . 75.11 110.872 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.3 -52.64 8.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 74.52 111.112 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.6 t80 65.37 116.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 74.25 110.91 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.83 101.92 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 74.24 110.909 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.57 173.94 8.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 72.12 110.966 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.3 m -138.4 174.66 10.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 61.41 110.875 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.5 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 75.04 110.862 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.3 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.885 0.374 . . . . 62.35 110.842 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.0 m -51.2 139.47 18.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 73.53 111.144 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.54 48.41 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 63.4 110.869 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -103.74 166.99 10.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 75.34 110.846 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.4 95.64 3.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 75.43 110.881 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -156.89 163.65 38.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 75.33 111.102 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -75.05 -21.18 59.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.35 110.922 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 pp -116.94 173.34 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 73.21 111.105 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.9 m -146.72 -171.73 3.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 71.34 110.866 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -49.41 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 74.53 110.854 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.56 134.63 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 72.14 110.913 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.6 40.08 46.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 72.5 112.46 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -87.33 178.05 6.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 74.11 110.861 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.71 159.99 41.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 74.2 110.835 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -74.6 125.56 28.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 74.15 110.866 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.88 -23.1 6.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 64.25 110.858 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 146.3 -137.09 6.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 73.32 112.492 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -159.16 151.43 21.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.35 . . . . 73.42 110.849 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.9 p -142.42 136.68 29.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 71.22 110.861 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.2 pp -72.25 136.51 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 74.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.45 -49.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 64.13 110.858 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -127.59 24.02 6.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 73.13 110.918 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.51 110.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 75.23 110.926 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -147.76 115.4 0.76 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 63.21 112.498 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -83.91 -75.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.945 0.402 . . . . 72.11 110.871 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.2 m -93.82 89.32 6.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 70.42 111.154 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.55 174.78 12.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 72.25 110.956 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.68 134.89 7.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 72.4 110.863 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 mt -55.56 -179.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 74.41 110.916 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -138.62 104.49 5.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.872 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 74.14 110.919 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 32' ' ' CYS . 76.1 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.886 0.374 . . . . 54.25 110.921 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.3 m -160.18 90.97 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 71.22 111.121 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.7 98.42 2.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 74.14 110.872 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.3 mtp85 -125.46 179.36 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.32 110.886 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.6 98.04 5.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 70.01 110.856 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -177.69 150.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 74.35 111.102 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -51.3 -61.71 2.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 74.42 110.916 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.8 pt -91.66 -174.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 75.1 111.147 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.0 m -110.48 -168.66 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 71.43 110.919 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -101.53 -23.56 14.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 71.51 110.864 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -135.59 -163.73 1.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 72.22 110.892 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.09 7.53 10.11 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.712 -0.756 . . . . 64.11 112.512 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -49.11 166.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 74.12 110.862 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.76 165.72 18.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 75.51 110.859 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -77.74 142.84 38.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 65.34 110.845 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 t -158.54 48.39 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 73.33 110.841 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.52 135.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 73.34 112.483 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -176.28 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.343 . . . . 75.14 110.896 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.9 p -129.51 158.36 39.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 74.04 110.866 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.3 pt -90.37 49.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 74.43 111.127 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -105.31 -27.35 11.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 73.13 110.878 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -119.16 -67.94 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 74.54 110.913 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -179.3 -38.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 74.52 110.86 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 52.03 74.92 0.25 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 45.14 112.53 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -115.48 -21.96 9.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.995 0.426 . . . . 73.14 110.882 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.0 t -157.37 38.73 0.29 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 64.04 111.16 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -165.68 154.73 11.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 74.54 110.923 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.38 141.39 49.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.892 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 pp -66.83 -177.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 75.23 110.944 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.7 m -145.86 148.17 32.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 72.33 110.893 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 5.7 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.53 110.889 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.1 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.933 0.397 . . . . 74.34 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.9 m -161.17 74.04 0.47 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 72.31 111.149 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.2 t -55.97 98.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.867 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -157.67 -176.59 6.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 74.53 110.892 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.49 122.81 15.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 71.54 110.889 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -178.4 148.07 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 72.51 111.077 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -51.69 -29.69 19.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.879 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -116.58 -170.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 71.33 111.126 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.8 m -135.79 -169.26 2.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 72.23 110.883 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -53.08 -77.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.879 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 179.45 124.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 75.3 110.93 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.74 36.03 31.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 73.21 112.489 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.25 178.48 5.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 74.43 110.854 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -114.74 -176.91 3.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 73.44 110.842 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -111.94 147.29 36.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 75.34 110.82 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.46 81.41 0.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 74.1 110.833 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.03 -168.11 1.02 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 75.04 112.47 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.3 161.4 29.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.871 0.367 . . . . 73.1 110.915 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.13 143.93 47.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 71.33 110.89 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.3 tt -70.32 -23.16 24.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 72.25 111.128 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.65 -169.85 2.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 75.42 110.842 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 50.76 -169.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 63.51 110.9 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.8 mtpt -135.35 -75.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.856 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.84 164.28 0.32 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 52.45 112.53 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.1 t -108.18 100.94 10.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.979 0.419 . . . . 62.21 110.895 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.05 18.63 9.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 74.41 111.138 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.12 156.21 29.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 65.21 110.887 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.89 125.47 16.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 75.25 110.89 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.27 163.85 0.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.916 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 94.8 m -146.85 130.03 16.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 71.52 110.883 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.3 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 75.12 110.871 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 64.4 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.843 0.354 . . . . 61.31 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.3 m -55.11 116.79 2.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 73.3 111.203 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 m -75.68 60.78 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 74.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -76.35 170.73 15.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.45 110.886 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.55 40.77 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 74.14 110.894 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -135.85 139.47 43.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 73.42 111.055 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -53.72 -27.23 27.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.952 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 pp -93.87 168.24 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 73.01 111.152 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 82.0 m -146.95 -171.62 3.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 72.31 110.893 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -50.0 -75.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 72.31 110.913 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.72 133.65 0.11 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.951 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.63 40.18 47.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 51.01 112.467 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -85.34 -173.72 4.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.367 . . . . 73.13 110.84 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -146.11 155.27 42.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 64.11 110.905 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -85.0 124.73 32.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.873 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.16 2.17 7.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.835 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.0 126.02 4.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 70.43 112.444 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.76 168.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.322 . . . . 74.43 110.921 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.4 p -120.63 -170.92 2.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 74.12 110.894 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -124.15 -3.65 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 74.04 111.123 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -51.77 -74.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.91 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -95.32 -40.86 9.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 74.53 110.952 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.73 -176.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 73.4 110.926 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.67 82.41 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 62.32 112.49 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.38 -74.76 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.966 0.412 . . . . 74.12 110.81 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.6 p -94.9 26.54 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 74.24 111.124 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -151.86 -177.08 5.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.907 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.98 159.36 44.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 73.14 110.874 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.85 -169.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 73.33 110.91 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.2 m -148.34 99.73 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 64.1 110.863 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.2 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 64.1 110.876 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.2 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.925 0.393 . . . . 72.13 110.887 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.3 m -77.33 68.93 3.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 74.33 111.181 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.0 m -65.9 99.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 73.35 110.877 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 -129.85 179.38 5.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 75.14 110.864 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.41 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -123.21 107.55 11.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 71.42 110.888 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -178.78 167.3 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.51 111.069 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 45.0 p90 -78.06 -3.11 40.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 73.12 110.898 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 pp -137.34 -177.2 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 73.13 111.091 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.4 m -126.42 174.42 8.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 63.25 110.86 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -50.69 -75.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 71.52 110.865 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -167.74 124.66 1.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.454 . . . . 74.45 110.901 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.78 33.91 35.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 63.03 112.447 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -80.64 -179.27 7.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.329 . . . . 63.32 110.931 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -144.89 144.01 30.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 73.52 110.845 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -81.69 138.25 35.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 72.33 110.868 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.8 m -153.48 52.76 0.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 72.1 110.872 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.87 120.78 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.708 -0.758 . . . . 70.32 112.462 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.19 145.65 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 75.32 110.862 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.3 m -75.06 178.17 5.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 71.22 110.847 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.6 mp -58.41 -66.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 74.4 111.151 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -178.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 74.34 110.883 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 47.34 85.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.891 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -54.62 99.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 72.13 110.908 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.53 100.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 73.14 112.428 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.36 -23.58 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 65.24 110.842 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 m -161.73 27.63 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 73.22 111.11 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.41 ' CD2' ' HA ' ' A' ' 6' ' ' ARG . 9.7 p90 -152.4 142.89 22.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 75.11 110.9 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.72 128.02 56.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 74.42 110.901 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.437 ' CD1' ' N ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -53.29 174.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.952 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.19 132.02 4.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.888 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.7 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.891 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 54.7 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.898 0.38 . . . . 74.2 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.6 m -65.58 90.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 75.51 111.094 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -67.28 88.06 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 45.04 110.867 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -136.05 168.83 18.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 73.53 110.878 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.42 95.47 4.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.88 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -149.51 177.15 9.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 74.13 111.109 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -94.41 -23.44 17.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 74.41 110.919 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 pp -123.44 177.86 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 74.31 111.127 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.4 m -119.55 163.87 16.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 63.3 110.898 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -51.11 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 75.13 110.867 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -174.06 134.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 74.4 110.917 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.44 39.34 44.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 75.31 112.463 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -86.74 153.76 21.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 75.11 110.88 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -73.77 -54.16 8.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.897 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 59.1 102.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 73.24 110.851 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 92.5 p -175.85 53.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 72.52 110.837 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 138.95 146.85 5.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.747 . . . . 63.23 112.449 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.94 160.62 33.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.371 . . . . 73.54 110.882 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.0 p -95.8 -173.97 3.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 71.32 110.84 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.4 tt -131.69 23.18 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 71.54 111.124 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -72.83 -67.42 0.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.865 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.6 -22.57 61.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 74.52 110.871 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm 63.39 63.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 74.33 110.871 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.62 -150.33 10.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 72.42 112.519 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -92.1 -75.19 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.951 0.405 . . . . 74.24 110.832 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.53 38.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 73.33 111.146 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -57.58 -175.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 75.31 110.94 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.66 -24.26 5.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 73.23 110.875 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 69.81 162.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 72.4 110.882 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 61.7 m -145.87 144.68 30.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.911 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.7 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 70.22 110.867 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.5 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.954 0.407 . . . . 71.34 110.844 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.5 m -136.53 13.37 3.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 72.2 110.83 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.3 m -160.96 82.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.24 111.109 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.75 97.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 70.32 110.9 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -136.22 155.68 49.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.864 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.87 99.27 6.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.856 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -172.2 152.78 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 73.15 111.102 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -59.72 -20.8 58.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 74.22 110.942 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 pp -121.38 177.92 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 74.33 111.143 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.0 m -129.34 -169.77 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 63.41 110.904 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -57.31 -74.78 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 74.52 110.852 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -167.17 115.58 0.82 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.932 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.18 27.84 24.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 54.22 112.487 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -64.11 161.11 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 74.43 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.49 127.72 53.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 64.35 110.886 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -72.83 142.31 48.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.871 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.34 23.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 72.4 110.886 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.21 167.14 23.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.761 . . . . 72.03 112.495 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.79 177.31 5.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 75.02 110.926 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.4 p -107.89 -176.43 3.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 71.35 110.906 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.4 pt -115.1 71.89 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 74.3 111.152 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.08 -42.52 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 72.53 110.836 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -114.57 -5.42 12.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 75.3 110.973 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.7 tttp 62.03 102.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 73.4 110.91 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.27 88.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 71.03 112.497 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -24.41 67.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.967 0.413 . . . . 65.35 110.862 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 t -175.62 -47.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 75.42 111.14 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -49.27 114.47 1.03 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.934 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.87 128.61 36.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 74.13 110.877 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.99 -170.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 61.54 110.931 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -163.98 141.95 7.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 75.45 110.876 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.0 t -111.22 142.79 42.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 71.04 110.883 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -108.27 97.41 7.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 73.41 110.871 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.51 110.885 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.923 0.392 . . . . 71.21 110.856 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.4 m -130.62 29.35 4.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 74.03 110.869 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m -161.66 84.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 73.02 111.16 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -68.0 87.26 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 73.24 110.919 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -140.75 172.43 12.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.894 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.94 113.44 18.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 73.01 110.871 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -178.56 143.48 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 64.23 111.138 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -59.26 -20.45 54.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.246 -0.434 . . . . 73.41 110.962 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 pp -115.37 177.2 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 73.23 111.141 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.6 m -130.4 -169.65 2.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 62.14 110.885 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -54.94 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.862 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 179.66 124.76 0.07 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.2 -0.454 . . . . 72.11 110.947 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.89 36.02 32.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 74.5 112.442 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.23 178.44 5.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 72.25 110.858 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.71 176.81 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 72.33 110.905 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -114.74 145.76 41.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.89 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.39 85.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 72.11 110.835 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.8 -168.92 31.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 62.41 112.512 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.13 -169.7 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 73.15 110.923 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -75.12 159.35 31.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 72.21 110.867 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -109.63 -20.59 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 64.42 111.09 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.0 -50.22 5.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 72.32 110.823 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -58.72 -76.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 71.3 110.924 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 mttt 178.62 -74.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 70.43 110.893 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.71 18.65 34.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 72.42 112.508 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 t -58.01 -23.96 56.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.968 0.413 . . . . 75.3 110.855 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.81 -71.93 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 72.44 111.168 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -46.32 115.83 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 73.44 110.933 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.05 130.92 42.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 71.32 110.878 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 mp -53.53 168.41 0.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 65.52 110.877 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.4 m -147.03 129.39 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 63.04 110.865 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.3 t -106.2 143.24 34.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 72.13 110.877 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -130.72 106.46 8.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 63.2 110.873 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 74.52 110.864 -179.911 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.1 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.904 0.383 . . . . 73.34 110.848 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.9 m 59.31 28.99 18.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 70.14 110.902 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.6 m -51.55 125.31 14.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 74.44 111.168 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t -76.41 64.41 2.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 74.41 110.868 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -115.93 176.14 5.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 71.13 110.886 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.46 111.42 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 74.02 110.866 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -173.74 176.51 2.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 70.53 111.078 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.14 24.48 5.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 75.45 110.95 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 pp -149.98 179.47 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 74.45 111.151 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.5 m -145.97 174.55 11.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 55.4 110.877 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -51.12 -75.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.889 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -172.9 131.29 0.51 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.926 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.34 37.38 39.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 63.33 112.495 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -88.14 -175.5 5.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 75.3 110.869 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.93 160.28 42.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.13 110.927 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -81.35 114.53 20.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 64.01 110.893 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 t -136.94 70.12 1.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 73.52 110.879 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.93 -170.28 45.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 74.1 112.494 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.48 41.73 2.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 74.53 110.887 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 54.51 -176.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 72.21 110.939 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.1 pt -153.23 76.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 74.24 111.136 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -170.76 -74.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 64.41 110.885 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -68.31 -170.35 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 74.43 110.862 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -94.98 -169.41 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.936 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.13 115.7 1.21 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.764 -0.731 . . . . 54.1 112.517 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -52.04 -76.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.943 0.401 . . . . 55.12 110.84 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.58 24.35 5.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 74.11 111.119 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.28 166.85 4.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 74.45 110.906 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.73 133.38 14.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 74.33 110.85 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 pp -57.53 -174.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 74.21 110.942 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.9 m -135.73 99.5 4.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 74.03 110.872 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.4 146.48 42.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 70.12 110.847 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -130.56 64.54 1.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 71.4 110.876 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 74.52 110.866 -179.928 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.942 0.401 . . . . 75.5 110.907 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.8 m -141.23 16.99 2.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 74.43 110.912 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 m -162.01 81.96 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 73.34 111.132 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.2 m -50.38 104.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 72.3 110.863 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 66.8 mtp85 -146.54 164.79 31.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 75.34 110.859 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.33 -167.48 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.871 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 66.07 174.82 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 75.51 111.099 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.47 19.46 8.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 72.45 110.889 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 pp -123.28 177.07 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 73.1 111.166 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.2 -173.25 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.891 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -50.49 -76.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.53 110.863 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -178.28 126.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 72.45 110.892 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.62 34.94 36.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 44.41 112.466 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -93.74 119.11 32.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.814 0.34 . . . . 74.4 110.895 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -59.1 135.22 57.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.875 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.75 149.6 21.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 74.35 110.847 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 m -166.69 74.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 72.5 110.868 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.97 -142.28 47.99 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 54.33 112.482 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.82 169.35 21.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 73.42 110.927 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.2 p -94.69 -2.04 51.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 64.11 110.886 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 77.5 mt 51.5 88.58 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 73.35 111.112 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -158.94 -74.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.869 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -65.36 164.42 13.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 75.13 110.95 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -169.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.885 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.64 143.82 8.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.695 -0.764 . . . . 71.14 112.487 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.8 t -64.93 -75.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.919 0.39 . . . . 75.11 110.872 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.3 -52.64 8.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 74.52 111.112 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.6 t80 65.37 116.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 74.25 110.91 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.83 101.92 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 74.24 110.909 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.57 173.94 8.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 72.12 110.966 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.3 m -138.4 174.66 10.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 61.41 110.875 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.5 t -132.27 145.3 51.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 75.04 110.862 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 ttp85 -78.03 89.61 4.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 73.43 110.868 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 71.23 110.838 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.879 0.371 . . . . 74.51 110.843 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.3 m 59.62 33.55 22.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 62.35 110.842 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.0 m -51.2 139.47 18.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 73.53 111.144 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.54 48.41 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 63.4 110.869 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -103.74 166.99 10.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 75.34 110.846 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.4 95.64 3.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 75.43 110.881 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -156.89 163.65 38.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 75.33 111.102 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -75.05 -21.18 59.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.35 110.922 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 pp -116.94 173.34 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 73.21 111.105 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.9 m -146.72 -171.73 3.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 71.34 110.866 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -49.41 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 74.53 110.854 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.56 134.63 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 72.14 110.913 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.6 40.08 46.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 72.5 112.46 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -87.33 178.05 6.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 74.11 110.861 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.71 159.99 41.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 74.2 110.835 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -74.6 125.56 28.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 74.15 110.866 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.88 -23.1 6.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 64.25 110.858 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 146.3 -137.09 6.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 73.32 112.492 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -159.16 151.43 21.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.35 . . . . 73.42 110.849 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.9 p -142.42 136.68 29.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 71.22 110.861 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.2 pp -72.25 136.51 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 74.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.45 -49.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 64.13 110.858 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -127.59 24.02 6.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 73.13 110.918 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.51 110.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 75.23 110.926 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -147.76 115.4 0.76 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 63.21 112.498 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -83.91 -75.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.945 0.402 . . . . 72.11 110.871 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.2 m -93.82 89.32 6.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 70.42 111.154 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.55 174.78 12.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 72.25 110.956 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.68 134.89 7.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 72.4 110.863 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 mt -55.56 -179.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 74.41 110.916 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -138.62 104.49 5.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.872 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.3 -171.02 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 74.14 110.919 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.12 59.72 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 72.42 110.866 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 70.12 110.861 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.0 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.9 0.381 . . . . 71.24 110.864 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 32' ' ' CYS . 76.1 m -117.29 -14.02 10.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 54.25 110.921 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.3 m -160.18 90.97 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 71.22 111.121 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.7 98.42 2.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 74.14 110.872 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.3 mtp85 -125.46 179.36 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.32 110.886 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.6 98.04 5.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 70.01 110.856 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -177.69 150.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 74.35 111.102 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -51.3 -61.71 2.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 74.42 110.916 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.8 pt -91.66 -174.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 75.1 111.147 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.0 m -110.48 -168.66 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 71.43 110.919 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -101.53 -23.56 14.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 71.51 110.864 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -135.59 -163.73 1.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 72.22 110.892 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.09 7.53 10.11 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.712 -0.756 . . . . 64.11 112.512 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -49.11 166.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 74.12 110.862 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.76 165.72 18.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 75.51 110.859 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -77.74 142.84 38.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 65.34 110.845 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 t -158.54 48.39 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 73.33 110.841 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.52 135.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 73.34 112.483 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -176.28 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.343 . . . . 75.14 110.896 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.9 p -129.51 158.36 39.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 74.04 110.866 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.3 pt -90.37 49.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 74.43 111.127 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -105.31 -27.35 11.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 73.13 110.878 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -119.16 -67.94 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 74.54 110.913 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -179.3 -38.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 74.52 110.86 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 52.03 74.92 0.25 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 45.14 112.53 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -115.48 -21.96 9.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.995 0.426 . . . . 73.14 110.882 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.0 t -157.37 38.73 0.29 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 64.04 111.16 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -165.68 154.73 11.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 74.54 110.923 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.38 141.39 49.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.892 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 pp -66.83 -177.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 75.23 110.944 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 60.7 m -145.86 148.17 32.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 72.33 110.893 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 5.7 t -148.04 136.43 21.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.53 110.889 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -94.35 86.15 4.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 73.33 110.899 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.85 -179.892 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.9 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.928 0.395 . . . . 73.43 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.1 m -134.46 23.2 3.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 74.34 110.886 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.9 m -161.17 74.04 0.47 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 72.31 111.149 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.2 t -55.97 98.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.867 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -157.67 -176.59 6.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 74.53 110.892 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.49 122.81 15.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 71.54 110.889 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -178.4 148.07 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 72.51 111.077 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -51.69 -29.69 19.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.879 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -116.58 -170.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 71.33 111.126 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.8 m -135.79 -169.26 2.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 72.23 110.883 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -53.08 -77.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.879 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 179.45 124.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 75.3 110.93 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.74 36.03 31.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 73.21 112.489 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.25 178.48 5.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 74.43 110.854 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -114.74 -176.91 3.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 73.44 110.842 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -111.94 147.29 36.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 75.34 110.82 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.46 81.41 0.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 74.1 110.833 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.03 -168.11 1.02 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 75.04 112.47 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.3 161.4 29.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.871 0.367 . . . . 73.1 110.915 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.13 143.93 47.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 71.33 110.89 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.3 tt -70.32 -23.16 24.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 72.25 111.128 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.65 -169.85 2.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 75.42 110.842 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 50.76 -169.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 63.51 110.9 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.8 mtpt -135.35 -75.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.856 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.84 164.28 0.32 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 52.45 112.53 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.1 t -108.18 100.94 10.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.979 0.419 . . . . 62.21 110.895 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.05 18.63 9.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 74.41 111.138 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.12 156.21 29.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 65.21 110.887 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.89 125.47 16.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 75.25 110.89 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.27 163.85 0.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.916 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 94.8 m -146.85 130.03 16.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 71.52 110.883 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.3 t -111.81 143.23 43.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 75.12 110.871 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -110.72 99.51 8.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 74.22 110.884 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 74.51 110.854 -179.901 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.915 0.388 . . . . 71.13 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 64.4 m 63.67 24.22 13.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 61.31 110.877 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.3 m -55.11 116.79 2.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 73.3 111.203 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 m -75.68 60.78 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 74.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -76.35 170.73 15.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.45 110.886 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.55 40.77 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 74.14 110.894 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -135.85 139.47 43.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 73.42 111.055 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -53.72 -27.23 27.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.952 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 pp -93.87 168.24 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 73.01 111.152 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 82.0 m -146.95 -171.62 3.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 72.31 110.893 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -50.0 -75.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 72.31 110.913 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.72 133.65 0.11 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.951 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.63 40.18 47.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 51.01 112.467 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -85.34 -173.72 4.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.367 . . . . 73.13 110.84 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -146.11 155.27 42.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 64.11 110.905 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -85.0 124.73 32.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.873 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.16 2.17 7.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.835 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.0 126.02 4.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 70.43 112.444 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.76 168.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.322 . . . . 74.43 110.921 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.4 p -120.63 -170.92 2.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 74.12 110.894 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -124.15 -3.65 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 74.04 111.123 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -51.77 -74.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.91 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -95.32 -40.86 9.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 74.53 110.952 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.73 -176.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 73.4 110.926 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.67 82.41 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 62.32 112.49 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.38 -74.76 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.966 0.412 . . . . 74.12 110.81 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.6 p -94.9 26.54 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 74.24 111.124 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -151.86 -177.08 5.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.907 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.98 159.36 44.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 73.14 110.874 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.85 -169.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 73.33 110.91 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.2 m -148.34 99.73 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 64.1 110.863 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.2 m -92.22 -175.99 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 64.1 110.876 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -160.65 129.71 4.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 71.21 110.885 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 72.45 110.855 -179.886 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.896 0.379 . . . . 53.15 110.851 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.2 m -141.18 -69.59 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 72.13 110.887 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.3 m -77.33 68.93 3.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 74.33 111.181 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.0 m -65.9 99.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 73.35 110.877 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 -129.85 179.38 5.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 75.14 110.864 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.41 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -123.21 107.55 11.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 71.42 110.888 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -178.78 167.3 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.51 111.069 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 45.0 p90 -78.06 -3.11 40.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 73.12 110.898 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 pp -137.34 -177.2 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 73.13 111.091 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.4 m -126.42 174.42 8.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 63.25 110.86 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -50.69 -75.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 71.52 110.865 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -167.74 124.66 1.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.454 . . . . 74.45 110.901 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.78 33.91 35.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 63.03 112.447 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -80.64 -179.27 7.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.329 . . . . 63.32 110.931 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -144.89 144.01 30.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 73.52 110.845 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -81.69 138.25 35.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 72.33 110.868 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.8 m -153.48 52.76 0.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 72.1 110.872 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.87 120.78 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.708 -0.758 . . . . 70.32 112.462 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.19 145.65 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 75.32 110.862 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.3 m -75.06 178.17 5.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 71.22 110.847 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.6 mp -58.41 -66.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 74.4 111.151 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -178.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 74.34 110.883 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 47.34 85.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.891 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -54.62 99.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 72.13 110.908 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.53 100.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 73.14 112.428 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.36 -23.58 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 65.24 110.842 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 m -161.73 27.63 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 73.22 111.11 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.41 ' CD2' ' HA ' ' A' ' 6' ' ' ARG . 9.7 p90 -152.4 142.89 22.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 75.11 110.9 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.72 128.02 56.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 74.42 110.901 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.437 ' CD1' ' N ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -53.29 174.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.952 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.19 132.02 4.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.888 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.7 t -100.74 146.15 27.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.891 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.02 -173.12 3.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 75.13 110.882 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 71.22 110.882 -179.873 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.901 0.381 . . . . 51.4 110.855 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 54.7 m -141.85 -60.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 74.2 110.9 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.6 m -65.58 90.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 75.51 111.094 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -67.28 88.06 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 45.04 110.867 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -136.05 168.83 18.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 73.53 110.878 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.42 95.47 4.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.88 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -149.51 177.15 9.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 74.13 111.109 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -94.41 -23.44 17.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 74.41 110.919 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 pp -123.44 177.86 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 74.31 111.127 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.4 m -119.55 163.87 16.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 63.3 110.898 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -51.11 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 75.13 110.867 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -174.06 134.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 74.4 110.917 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.44 39.34 44.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 75.31 112.463 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -86.74 153.76 21.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 75.11 110.88 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -73.77 -54.16 8.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.897 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 59.1 102.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 73.24 110.851 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 92.5 p -175.85 53.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 72.52 110.837 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 138.95 146.85 5.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.747 . . . . 63.23 112.449 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.94 160.62 33.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.371 . . . . 73.54 110.882 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.0 p -95.8 -173.97 3.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 71.32 110.84 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.4 tt -131.69 23.18 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 71.54 111.124 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -72.83 -67.42 0.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.865 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.6 -22.57 61.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 74.52 110.871 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm 63.39 63.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 74.33 110.871 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.62 -150.33 10.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 72.42 112.519 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -92.1 -75.19 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.951 0.405 . . . . 74.24 110.832 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.53 38.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 73.33 111.146 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -57.58 -175.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 75.31 110.94 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.66 -24.26 5.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 73.23 110.875 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 69.81 162.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 72.4 110.882 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 61.7 m -145.87 144.68 30.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.911 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.7 t -101.63 146.73 27.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 70.22 110.867 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -147.8 127.53 13.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 75.55 110.908 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 74.12 110.917 -179.894 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.5 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.866 0.365 . . . . 60.43 110.83 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.3 m -160.96 82.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.239999999999995 111.109 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.601 ' SG ' HD11 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -58.75 97.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 70.319999999999993 110.9 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -136.22 155.68 49.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 74.010000000000005 110.864 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.87 99.27 6.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 72.310000000000002 110.856 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -172.2 152.78 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 73.150000000000006 111.102 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -59.72 -20.8 58.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 74.219999999999999 110.942 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.403 HD12 ' C ' ' A' ' 9' ' ' ILE . 2.7 pp -121.38 177.92 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 64.420000000000002 111.143 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.0 m -129.34 -169.77 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 63.409999999999997 110.904 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -57.31 -74.78 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 72.129999999999995 110.852 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -167.17 115.58 0.82 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 73.420000000000002 110.932 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.18 27.84 24.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 54.219999999999999 112.487 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -64.11 161.11 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 74.430000000000007 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.49 127.72 53.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 63.109999999999999 110.886 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -72.83 142.31 48.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 73.340000000000003 110.871 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.34 23.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 63.219999999999999 110.886 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.21 167.14 23.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.761 . . . . 72.030000000000001 112.495 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.561 ' HA ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -99.79 177.31 5.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 74.239999999999995 110.926 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.4 p -107.89 -176.43 3.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 52.549999999999997 110.906 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.4 pt -115.1 71.89 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 73.510000000000005 111.152 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.08 -42.52 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 72.530000000000001 110.836 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -114.57 -5.42 12.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 71.109999999999999 110.973 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.7 tttp 62.03 102.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 42.350000000000001 110.91 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.27 88.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 71.030000000000001 112.497 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -24.41 67.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.967 0.413 . . . . 44.310000000000002 110.862 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 t -175.62 -47.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 75.420000000000002 111.14 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -49.27 114.47 1.03 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 63.32 110.934 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.87 128.61 36.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 54.329999999999998 110.877 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.601 HD11 ' SG ' ' A' ' 4' ' ' CYS . 0.5 OUTLIER -59.99 -170.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 61.539999999999999 110.931 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -163.98 141.95 7.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 63.009999999999998 110.876 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.0 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 71.040000000000006 110.883 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.4 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.879 0.371 . . . . 74.030000000000001 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m -161.66 84.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 73.019999999999996 111.16 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.656 ' SG ' HD21 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -68.0 87.26 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 73.239999999999995 110.919 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -140.75 172.43 12.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 74.420000000000002 110.894 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.94 113.44 18.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 64.049999999999997 110.871 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -178.56 143.48 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 61.420000000000002 111.138 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -59.26 -20.45 54.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.246 -0.434 . . . . 73.409999999999997 110.962 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.42 HD12 ' C ' ' A' ' 9' ' ' ILE . 2.7 pp -115.37 177.2 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 53.0 111.141 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.6 m -130.4 -169.65 2.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 62.140000000000001 110.885 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -54.94 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.409999999999997 110.862 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 179.66 124.76 0.07 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.2 -0.454 . . . . 72.109999999999999 110.947 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.89 36.02 32.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 53.32 112.442 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.23 178.44 5.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 72.25 110.858 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.71 176.81 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 64.209999999999994 110.905 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -114.74 145.76 41.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 72.129999999999995 110.89 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.39 85.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 42.25 110.835 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.8 -168.92 31.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 53.439999999999998 112.512 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.426 ' C ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -130.13 -169.7 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 71.239999999999995 110.923 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -75.12 159.35 31.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 64.209999999999994 110.867 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -109.63 -20.59 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 64.420000000000002 111.09 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.0 -50.22 5.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 72.319999999999993 110.823 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -58.72 -76.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 71.299999999999997 110.924 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 mttt 178.62 -74.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 62.210000000000001 110.893 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.71 18.65 34.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 72.420000000000002 112.508 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 t -58.01 -23.96 56.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.968 0.413 . . . . 62.409999999999997 110.855 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.81 -71.93 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 63.32 111.168 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -46.32 115.83 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 73.439999999999998 110.933 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.05 130.92 42.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 71.319999999999993 110.878 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.656 HD21 ' SG ' ' A' ' 4' ' ' CYS . 3.6 mp -53.53 168.41 0.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 65.519999999999996 110.877 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.4 m -147.03 129.39 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 63.039999999999999 110.865 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.3 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 72.129999999999995 110.877 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.572 ' HA ' HD13 ' A' ' 30' ' ' LEU . 38.9 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.92 0.391 . . . . 70.140000000000001 110.902 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.6 m -51.55 125.31 14.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 74.439999999999998 111.168 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t -76.41 64.41 2.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 71.420000000000002 110.868 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -115.93 176.14 5.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 71.129999999999995 110.886 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.46 111.42 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 74.019999999999996 110.866 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -173.74 176.51 2.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 70.530000000000001 111.078 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.14 24.48 5.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 75.450000000000003 110.95 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.422 HD12 ' C ' ' A' ' 9' ' ' ILE . 2.8 pp -149.98 179.47 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 72.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.5 m -145.97 174.55 11.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 55.399999999999999 110.877 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -51.12 -75.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 73.209999999999994 110.889 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -172.9 131.29 0.51 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 64.25 110.926 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.34 37.38 39.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 31.010000000000002 112.495 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -88.14 -175.5 5.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 75.299999999999997 110.869 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.93 160.28 42.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.400000000000006 110.927 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -81.35 114.53 20.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 64.010000000000005 110.893 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.623 ' HB3' HD11 ' A' ' 30' ' ' LEU . 47.1 t -136.94 70.12 1.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 42.409999999999997 110.879 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.93 -170.28 45.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 44.100000000000001 112.494 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.48 41.73 2.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 74.219999999999999 110.887 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.627 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.2 OUTLIER 54.51 -176.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 54.240000000000002 110.939 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.1 pt -153.23 76.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 62.32 111.136 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -170.76 -74.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 64.409999999999997 110.885 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -68.31 -170.35 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 74.430000000000007 110.862 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -94.98 -169.41 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 72.420000000000002 110.936 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.13 115.7 1.21 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.764 -0.731 . . . . 54.100000000000001 112.517 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -52.04 -76.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.943 0.401 . . . . 55.119999999999997 110.84 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.58 24.35 5.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 55.310000000000002 111.119 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.28 166.85 4.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 74.450000000000003 110.906 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.73 133.38 14.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 74.329999999999998 110.85 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.627 HD23 ' H ' ' A' ' 20' ' ' CYS . 4.2 pp -57.53 -174.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 72.310000000000002 110.942 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.9 m -135.73 99.5 4.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 74.030000000000001 110.872 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 70.120000000000005 110.847 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.882 0.372 . . . . 74.430000000000007 110.912 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 m -162.01 81.96 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 71.040000000000006 111.132 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.2 m -50.38 104.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 71.540000000000006 110.863 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 66.8 mtp85 -146.54 164.79 31.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 64.239999999999995 110.859 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.33 -167.48 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 74.219999999999999 110.871 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 66.07 174.82 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 75.510000000000005 111.099 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.47 19.46 8.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 72.129999999999995 110.889 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.407 HD12 ' C ' ' A' ' 9' ' ' ILE . 2.7 pp -123.28 177.07 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 63.520000000000003 111.166 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.2 -173.25 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.109999999999999 110.891 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -50.49 -76.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.530000000000001 110.863 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -178.28 126.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 72.450000000000003 110.892 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.62 34.94 36.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 34.229999999999997 112.466 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -93.74 119.11 32.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.814 0.34 . . . . 74.400000000000006 110.895 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -59.1 135.22 57.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 72.329999999999998 110.875 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.75 149.6 21.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 74.349999999999994 110.847 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 m -166.69 74.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 72.5 110.868 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.97 -142.28 47.99 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 53.43 112.482 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.718 ' HA ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -149.82 169.35 21.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 72.230000000000004 110.927 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.2 p -94.69 -2.04 51.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 51.350000000000001 110.886 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 77.5 mt 51.5 88.58 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 64.25 111.112 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -158.94 -74.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 72.549999999999997 110.869 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -65.36 164.42 13.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 75.129999999999995 110.95 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -169.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 74.329999999999998 110.885 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.64 143.82 8.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.695 -0.764 . . . . 34.340000000000003 112.487 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.8 t -64.93 -75.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.919 0.39 . . . . 75.109999999999999 110.872 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.3 -52.64 8.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 72.409999999999997 111.112 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.6 t80 65.37 116.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 74.25 110.91 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.83 101.92 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 74.150000000000006 110.909 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.718 HD22 ' HA ' ' A' ' 19' ' ' LYS . 0.6 OUTLIER -72.57 173.94 8.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 72.120000000000005 110.966 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.3 m -138.4 174.66 10.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 61.409999999999997 110.875 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.5 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 42.340000000000003 110.862 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.3 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.885 0.374 . . . . 42.229999999999997 110.842 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.0 m -51.2 139.47 18.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 72.209999999999994 111.144 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.54 48.41 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 63.399999999999999 110.869 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -103.74 166.99 10.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 75.340000000000003 110.846 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.4 95.64 3.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 73.120000000000005 110.881 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -156.89 163.65 38.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 75.239999999999995 111.102 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -75.05 -21.18 59.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.349999999999994 110.922 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.414 HD12 ' C ' ' A' ' 9' ' ' ILE . 2.7 pp -116.94 173.34 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 61.109999999999999 111.105 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.9 m -146.72 -171.73 3.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 44.109999999999999 110.866 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -49.41 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 74.140000000000001 110.854 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.56 134.63 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 72.140000000000001 110.913 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.6 40.08 46.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 41.200000000000003 112.46 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -87.33 178.05 6.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 74.109999999999999 110.861 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.71 159.99 41.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 74.200000000000003 110.835 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -74.6 125.56 28.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 74.150000000000006 110.866 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.88 -23.1 6.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 64.25 110.858 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 146.3 -137.09 6.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 73.319999999999993 112.492 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -159.16 151.43 21.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.35 . . . . 73.420000000000002 110.849 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.9 p -142.42 136.68 29.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 64.140000000000001 110.861 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.2 pp -72.25 136.51 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 55.140000000000001 111.125 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.45 -49.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 64.129999999999995 110.858 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -127.59 24.02 6.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 61.310000000000002 110.918 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.51 110.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 75.230000000000004 110.926 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -147.76 115.4 0.76 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 52.350000000000001 112.498 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -83.91 -75.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.945 0.402 . . . . 72.109999999999999 110.871 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.2 m -93.82 89.32 6.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 53.119999999999997 111.154 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.55 174.78 12.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 72.25 110.956 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.68 134.89 7.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 51.439999999999998 110.863 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 mt -55.56 -179.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 73.319999999999993 110.916 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -138.62 104.49 5.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 74.430000000000007 110.872 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 44.399999999999999 110.919 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 32' ' ' CYS . 76.1 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.886 0.374 . . . . 54.25 110.921 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.428 HG22 ' CG ' ' A' ' 5' ' ' ARG . 2.3 m -160.18 90.97 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 55.409999999999997 111.121 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.7 98.42 2.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 74.140000000000001 110.872 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.428 ' CG ' HG22 ' A' ' 3' ' ' THR . 23.3 mtp85 -125.46 179.36 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 73.340000000000003 110.886 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.6 98.04 5.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 60.229999999999997 110.856 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -177.69 150.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 64.120000000000005 111.102 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -51.3 -61.71 2.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 73.209999999999994 110.916 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.8 pt -91.66 -174.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 63.020000000000003 111.147 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.0 m -110.48 -168.66 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 61.25 110.919 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -101.53 -23.56 14.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 70.219999999999999 110.864 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -135.59 -163.73 1.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 71.129999999999995 110.892 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.09 7.53 10.11 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.712 -0.756 . . . . 64.109999999999999 112.512 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 31' ' ' CYS . 1.2 mt-10 -49.11 166.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 74.120000000000005 110.862 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.76 165.72 18.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 73.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -77.74 142.84 38.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 65.340000000000003 110.845 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 t -158.54 48.39 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 73.329999999999998 110.841 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.52 135.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 72.030000000000001 112.483 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -176.28 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.343 . . . . 72.310000000000002 110.896 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.9 p -129.51 158.36 39.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 74.040000000000006 110.866 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.3 pt -90.37 49.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 74.430000000000007 111.127 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -105.31 -27.35 11.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 63.32 110.878 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -119.16 -67.94 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 74.540000000000006 110.913 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -179.3 -38.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 70.439999999999998 110.86 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 52.03 74.92 0.25 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 43.350000000000001 112.53 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -115.48 -21.96 9.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.995 0.426 . . . . 73.140000000000001 110.882 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.0 t -157.37 38.73 0.29 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 62.420000000000002 111.16 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -165.68 154.73 11.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 74.540000000000006 110.923 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.38 141.39 49.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 73.140000000000001 110.892 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.447 HD12 ' C ' ' A' ' 30' ' ' LEU . 4.6 pp -66.83 -177.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 75.230000000000004 110.944 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 14' ' ' GLU . 60.7 m -145.86 148.17 32.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 72.329999999999998 110.893 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.405 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 5.7 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.530000000000001 110.889 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.1 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.933 0.397 . . . . 14.42 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.419 HG22 ' HD2' ' A' ' 5' ' ' ARG . 6.9 m -161.17 74.04 0.47 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 64.340000000000003 111.149 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.616 ' HA ' HD21 ' A' ' 30' ' ' LEU . 9.2 t -55.97 98.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 75.239999999999995 110.867 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.419 ' HD2' HG22 ' A' ' 3' ' ' THR . 7.3 ptm180 -157.67 -176.59 6.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 74.530000000000001 110.892 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.49 122.81 15.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 64.439999999999998 110.889 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -178.4 148.07 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 34.409999999999997 111.077 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.527 ' C ' HD13 ' A' ' 9' ' ' ILE . 2.1 m-90 -51.69 -29.69 19.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 73.430000000000007 110.879 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.552 HG22 ' H ' ' A' ' 10' ' ' CYS . 0.4 OUTLIER -116.58 -170.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 61.200000000000003 111.126 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.552 ' H ' HG22 ' A' ' 9' ' ' ILE . 34.8 m -135.79 -169.26 2.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 71.430000000000007 110.883 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -53.08 -77.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 73.219999999999999 110.879 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 179.45 124.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 75.299999999999997 110.93 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.74 36.03 31.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 44.509999999999998 112.489 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.25 178.48 5.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 74.430000000000007 110.854 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -114.74 -176.91 3.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 65.150000000000006 110.842 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -111.94 147.29 36.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 75.340000000000003 110.82 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.46 81.41 0.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 74.019999999999996 110.833 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.03 -168.11 1.02 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 52.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.3 161.4 29.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.871 0.367 . . . . 71.5 110.915 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.449 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -73.13 143.93 47.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 21.440000000000001 110.89 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.3 tt -70.32 -23.16 24.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 65.209999999999994 111.128 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.65 -169.85 2.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 75.420000000000002 110.842 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 50.76 -169.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 63.210000000000001 110.9 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.8 mtpt -135.35 -75.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.409999999999997 110.856 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.84 164.28 0.32 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 52.450000000000003 112.53 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.1 t -108.18 100.94 10.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.979 0.419 . . . . 62.210000000000001 110.895 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.05 18.63 9.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 55.340000000000003 111.138 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.12 156.21 29.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 62.310000000000002 110.887 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.89 125.47 16.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 74.239999999999995 110.89 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.616 HD21 ' HA ' ' A' ' 4' ' ' CYS . 0.3 OUTLIER -50.27 163.85 0.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 72.319999999999993 110.916 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 94.8 m -146.85 130.03 16.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 71.519999999999996 110.883 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.3 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 74.109999999999999 110.871 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.635 ' HB3' HD12 ' A' ' 30' ' ' LEU . 64.4 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.843 0.354 . . . . 61.310000000000002 110.877 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.468 HG22 ' HG3' ' A' ' 5' ' ' ARG . 39.3 m -55.11 116.79 2.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 73.299999999999997 111.203 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 m -75.68 60.78 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 64.209999999999994 110.887 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.468 ' HG3' HG22 ' A' ' 3' ' ' THR . 12.5 mtt-85 -76.35 170.73 15.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.239999999999995 110.886 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.401 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -119.55 40.77 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 74.140000000000001 110.894 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -135.85 139.47 43.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 73.420000000000002 111.055 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -53.72 -27.23 27.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 74.239999999999995 110.952 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.437 HD12 ' C ' ' A' ' 9' ' ' ILE . 2.6 pp -93.87 168.24 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 73.010000000000005 111.152 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 82.0 m -146.95 -171.62 3.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 64.140000000000001 110.893 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -50.0 -75.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 72.310000000000002 110.913 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.72 133.65 0.11 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.166 -0.47 . . . . 73.510000000000005 110.951 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.63 40.18 47.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 33.219999999999999 112.467 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -85.34 -173.72 4.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.367 . . . . 73.129999999999995 110.84 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -146.11 155.27 42.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 54.299999999999997 110.905 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -85.0 124.73 32.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 64.349999999999994 110.873 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.16 2.17 7.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 61.219999999999999 110.835 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.453 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 93.0 126.02 4.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 70.430000000000007 112.444 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.76 168.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.322 . . . . 74.430000000000007 110.921 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.4 p -120.63 -170.92 2.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 54.399999999999999 110.894 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -124.15 -3.65 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 72.409999999999997 111.123 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -51.77 -74.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 73.409999999999997 110.91 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -95.32 -40.86 9.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 73.230000000000004 110.952 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.73 -176.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 64.049999999999997 110.926 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.67 82.41 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 62.32 112.49 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.38 -74.76 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.966 0.412 . . . . 70.219999999999999 110.81 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.6 p -94.9 26.54 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 70.230000000000004 111.124 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -151.86 -177.08 5.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.907 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.98 159.36 44.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 72.439999999999998 110.874 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.635 HD12 ' HB3' ' A' ' 2' ' ' CYS . 0.6 OUTLIER -74.85 -169.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 72.340000000000003 110.91 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.2 m -148.34 99.73 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 42.299999999999997 110.863 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.2 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 62.299999999999997 110.876 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.2 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.925 0.393 . . . . 72.129999999999995 110.887 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.651 HG21 ' CG ' ' A' ' 11' ' ' ARG . 22.3 m -77.33 68.93 3.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 74.329999999999998 111.181 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.0 m -65.9 99.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 63.310000000000002 110.877 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 -129.85 179.38 5.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 71.109999999999999 110.864 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.412 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -123.21 107.55 11.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 64.129999999999995 110.888 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -178.78 167.3 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.510000000000005 111.069 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.77 ' CD1' HG23 ' A' ' 9' ' ' ILE . 45.0 p90 -78.06 -3.11 40.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 62.229999999999997 110.898 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.77 HG23 ' CD1' ' A' ' 8' ' ' TRP . 2.8 pp -137.34 -177.2 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 73.129999999999995 111.091 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.4 m -126.42 174.42 8.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 63.25 110.86 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.651 ' CG ' HG21 ' A' ' 3' ' ' THR . 2.5 mmm180 -50.69 -75.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 64.510000000000005 110.865 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -167.74 124.66 1.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.454 . . . . 74.450000000000003 110.901 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.78 33.91 35.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 42.119999999999997 112.447 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -80.64 -179.27 7.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.329 . . . . 52.509999999999998 110.931 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -144.89 144.01 30.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 73.319999999999993 110.845 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -81.69 138.25 35.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 72.109999999999999 110.868 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.8 m -153.48 52.76 0.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 72.099999999999994 110.872 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.87 120.78 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.708 -0.758 . . . . 45.310000000000002 112.462 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.19 145.65 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 71.030000000000001 110.862 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.3 m -75.06 178.17 5.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 71.219999999999999 110.847 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.6 mp -58.41 -66.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 74.400000000000006 111.151 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -178.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 74.340000000000003 110.883 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 47.34 85.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.209999999999994 110.891 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -54.62 99.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 72.129999999999995 110.908 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.53 100.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 73.140000000000001 112.428 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.36 -23.58 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 65.239999999999995 110.842 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 m -161.73 27.63 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 73.219999999999999 111.11 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.412 ' CD2' ' HA ' ' A' ' 6' ' ' ARG . 9.7 p90 -152.4 142.89 22.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 74.019999999999996 110.9 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.72 128.02 56.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 74.420000000000002 110.901 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.636 HD22 ' N ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -53.29 174.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 74.120000000000005 110.952 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.636 ' N ' HD22 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -162.19 132.02 4.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.230000000000004 110.888 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.7 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 70.549999999999997 110.891 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 54.7 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.898 0.38 . . . . 74.200000000000003 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.6 m -65.58 90.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 74.010000000000005 111.094 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.541 ' SG ' HD21 ' A' ' 30' ' ' LEU . 1.3 m -67.28 88.06 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 42.520000000000003 110.867 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -136.05 168.83 18.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 73.530000000000001 110.878 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.42 95.47 4.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 74.049999999999997 110.88 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -149.51 177.15 9.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 41.219999999999999 111.109 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -94.41 -23.44 17.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 64.400000000000006 110.919 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 pp -123.44 177.86 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 71.329999999999998 111.127 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.4 m -119.55 163.87 16.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 54.200000000000003 110.898 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -51.11 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 75.129999999999995 110.867 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -174.06 134.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 74.400000000000006 110.917 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.44 39.34 44.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 72.140000000000001 112.463 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -86.74 153.76 21.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 74.310000000000002 110.88 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -73.77 -54.16 8.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 65.049999999999997 110.897 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 59.1 102.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 73.239999999999995 110.851 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 92.5 p -175.85 53.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 71.430000000000007 110.837 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 138.95 146.85 5.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.747 . . . . 63.229999999999997 112.449 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.625 ' HA ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -129.94 160.62 33.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.371 . . . . 73.540000000000006 110.882 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.0 p -95.8 -173.97 3.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 51.119999999999997 110.84 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.4 tt -131.69 23.18 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 70.430000000000007 111.124 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -72.83 -67.42 0.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 75.209999999999994 110.865 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.6 -22.57 61.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 63.520000000000003 110.871 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm 63.39 63.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 73.439999999999998 110.871 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.62 -150.33 10.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 72.420000000000002 112.519 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -92.1 -75.19 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.951 0.405 . . . . 74.239999999999995 110.832 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.53 38.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 73.329999999999998 111.146 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.469 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -57.58 -175.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 75.310000000000002 110.94 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.66 -24.26 5.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 63.5 110.875 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.625 HD22 ' HA ' ' A' ' 19' ' ' LYS . 0.4 OUTLIER 69.81 162.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 71.239999999999995 110.882 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 61.7 m -145.87 144.68 30.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 73.310000000000002 110.911 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.7 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 65.310000000000002 110.867 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.5 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.954 0.407 . . . . 71.340000000000003 110.844 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.5 m -136.53 13.37 3.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 60.43 110.83 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.3 m -160.96 82.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.239999999999995 111.109 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.601 ' SG ' HD11 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -58.75 97.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 70.319999999999993 110.9 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -136.22 155.68 49.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 74.010000000000005 110.864 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.87 99.27 6.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 72.310000000000002 110.856 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -172.2 152.78 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 73.150000000000006 111.102 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -59.72 -20.8 58.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 74.219999999999999 110.942 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.403 HD12 ' C ' ' A' ' 9' ' ' ILE . 2.7 pp -121.38 177.92 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 64.420000000000002 111.143 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.0 m -129.34 -169.77 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 63.409999999999997 110.904 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -57.31 -74.78 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 72.129999999999995 110.852 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -167.17 115.58 0.82 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 73.420000000000002 110.932 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.18 27.84 24.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 54.219999999999999 112.487 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -64.11 161.11 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 74.430000000000007 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.49 127.72 53.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 63.109999999999999 110.886 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -72.83 142.31 48.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 73.340000000000003 110.871 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.34 23.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 63.219999999999999 110.886 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.21 167.14 23.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.761 . . . . 72.030000000000001 112.495 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.561 ' HA ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -99.79 177.31 5.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 74.239999999999995 110.926 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.4 p -107.89 -176.43 3.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 52.549999999999997 110.906 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.4 pt -115.1 71.89 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 73.510000000000005 111.152 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.08 -42.52 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 72.530000000000001 110.836 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -114.57 -5.42 12.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 71.109999999999999 110.973 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.7 tttp 62.03 102.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 42.350000000000001 110.91 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.27 88.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 71.030000000000001 112.497 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -24.41 67.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.967 0.413 . . . . 44.310000000000002 110.862 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 t -175.62 -47.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 75.420000000000002 111.14 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -49.27 114.47 1.03 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 63.32 110.934 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.87 128.61 36.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 54.329999999999998 110.877 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.601 HD11 ' SG ' ' A' ' 4' ' ' CYS . 0.5 OUTLIER -59.99 -170.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 61.539999999999999 110.931 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -163.98 141.95 7.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 63.009999999999998 110.876 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.0 t -111.22 142.79 42.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 71.040000000000006 110.883 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -108.27 97.41 7.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 62.210000000000001 110.871 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.510000000000005 110.885 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.722 ' HB2' HD23 ' A' ' 30' ' ' LEU . 1.6 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.923 0.392 . . . . 71.209999999999994 110.856 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.4 m -130.62 29.35 4.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 74.030000000000001 110.869 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m -161.66 84.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 73.019999999999996 111.16 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.656 ' SG ' HD21 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -68.0 87.26 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 73.239999999999995 110.919 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -140.75 172.43 12.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 74.420000000000002 110.894 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.94 113.44 18.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 64.049999999999997 110.871 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -178.56 143.48 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 61.420000000000002 111.138 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -59.26 -20.45 54.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.246 -0.434 . . . . 73.409999999999997 110.962 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.42 HD12 ' C ' ' A' ' 9' ' ' ILE . 2.7 pp -115.37 177.2 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 53.0 111.141 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.6 m -130.4 -169.65 2.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 62.140000000000001 110.885 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -54.94 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.409999999999997 110.862 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 179.66 124.76 0.07 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.2 -0.454 . . . . 72.109999999999999 110.947 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.89 36.02 32.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 53.32 112.442 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.23 178.44 5.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 72.25 110.858 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.71 176.81 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 64.209999999999994 110.905 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -114.74 145.76 41.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 72.129999999999995 110.89 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.39 85.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 42.25 110.835 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.8 -168.92 31.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 53.439999999999998 112.512 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.426 ' C ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -130.13 -169.7 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 71.239999999999995 110.923 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -75.12 159.35 31.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 64.209999999999994 110.867 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -109.63 -20.59 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 64.420000000000002 111.09 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.0 -50.22 5.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 72.319999999999993 110.823 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -58.72 -76.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 71.299999999999997 110.924 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 mttt 178.62 -74.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 62.210000000000001 110.893 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.71 18.65 34.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 72.420000000000002 112.508 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 t -58.01 -23.96 56.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.968 0.413 . . . . 62.409999999999997 110.855 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.81 -71.93 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 63.32 111.168 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -46.32 115.83 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 73.439999999999998 110.933 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.05 130.92 42.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 71.319999999999993 110.878 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.722 HD23 ' HB2' ' A' ' 1' ' ' SER . 3.6 mp -53.53 168.41 0.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 65.519999999999996 110.877 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.4 m -147.03 129.39 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 63.039999999999999 110.865 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.3 t -106.2 143.24 34.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 72.129999999999995 110.877 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -130.72 106.46 8.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 62.240000000000002 110.873 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 74.519999999999996 110.864 -179.911 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.1 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.904 0.383 . . . . 73.340000000000003 110.848 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.572 ' HA ' HD13 ' A' ' 30' ' ' LEU . 38.9 m 59.31 28.99 18.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 70.140000000000001 110.902 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.6 m -51.55 125.31 14.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 74.439999999999998 111.168 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t -76.41 64.41 2.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 71.420000000000002 110.868 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -115.93 176.14 5.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 71.129999999999995 110.886 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.46 111.42 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 74.019999999999996 110.866 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -173.74 176.51 2.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 70.530000000000001 111.078 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.14 24.48 5.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 75.450000000000003 110.95 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.422 HD12 ' C ' ' A' ' 9' ' ' ILE . 2.8 pp -149.98 179.47 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 72.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.5 m -145.97 174.55 11.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 55.399999999999999 110.877 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -51.12 -75.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 73.209999999999994 110.889 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -172.9 131.29 0.51 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 64.25 110.926 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.34 37.38 39.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 31.010000000000002 112.495 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -88.14 -175.5 5.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 75.299999999999997 110.869 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.93 160.28 42.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.400000000000006 110.927 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -81.35 114.53 20.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 64.010000000000005 110.893 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.623 ' HB3' HD11 ' A' ' 30' ' ' LEU . 47.1 t -136.94 70.12 1.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 42.409999999999997 110.879 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.93 -170.28 45.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 44.100000000000001 112.494 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.48 41.73 2.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 74.219999999999999 110.887 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.627 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.2 OUTLIER 54.51 -176.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 54.240000000000002 110.939 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.1 pt -153.23 76.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 62.32 111.136 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -170.76 -74.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 64.409999999999997 110.885 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -68.31 -170.35 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 74.430000000000007 110.862 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -94.98 -169.41 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 72.420000000000002 110.936 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.13 115.7 1.21 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.764 -0.731 . . . . 54.100000000000001 112.517 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -52.04 -76.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.943 0.401 . . . . 55.119999999999997 110.84 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.58 24.35 5.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 55.310000000000002 111.119 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.28 166.85 4.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 74.450000000000003 110.906 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.73 133.38 14.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 74.329999999999998 110.85 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.627 HD23 ' H ' ' A' ' 20' ' ' CYS . 4.2 pp -57.53 -174.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 72.310000000000002 110.942 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.9 m -135.73 99.5 4.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 74.030000000000001 110.872 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.4 146.48 42.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 70.120000000000005 110.847 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -130.56 64.54 1.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 70.040000000000006 110.876 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 74.519999999999996 110.866 -179.928 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.79 ' HB2' HD11 ' A' ' 30' ' ' LEU . 6.7 p . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.942 0.401 . . . . 44.520000000000003 110.907 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.8 m -141.23 16.99 2.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 74.430000000000007 110.912 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 m -162.01 81.96 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 71.040000000000006 111.132 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.2 m -50.38 104.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 71.540000000000006 110.863 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 66.8 mtp85 -146.54 164.79 31.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 64.239999999999995 110.859 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.33 -167.48 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 74.219999999999999 110.871 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 66.07 174.82 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 75.510000000000005 111.099 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.47 19.46 8.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 72.129999999999995 110.889 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.407 HD12 ' C ' ' A' ' 9' ' ' ILE . 2.7 pp -123.28 177.07 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 63.520000000000003 111.166 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.2 -173.25 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.109999999999999 110.891 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -50.49 -76.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.530000000000001 110.863 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -178.28 126.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 72.450000000000003 110.892 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.62 34.94 36.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 34.229999999999997 112.466 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -93.74 119.11 32.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.814 0.34 . . . . 74.400000000000006 110.895 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -59.1 135.22 57.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 72.329999999999998 110.875 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.75 149.6 21.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 74.349999999999994 110.847 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 m -166.69 74.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 72.5 110.868 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.97 -142.28 47.99 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 53.43 112.482 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.718 ' HA ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -149.82 169.35 21.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 72.230000000000004 110.927 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.2 p -94.69 -2.04 51.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 51.350000000000001 110.886 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 77.5 mt 51.5 88.58 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 64.25 111.112 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -158.94 -74.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 72.549999999999997 110.869 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -65.36 164.42 13.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 75.129999999999995 110.95 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -169.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 74.329999999999998 110.885 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.64 143.82 8.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.695 -0.764 . . . . 34.340000000000003 112.487 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.8 t -64.93 -75.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.919 0.39 . . . . 75.109999999999999 110.872 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.3 -52.64 8.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 72.409999999999997 111.112 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.6 t80 65.37 116.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 74.25 110.91 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.83 101.92 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 74.150000000000006 110.909 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.79 HD11 ' HB2' ' A' ' 1' ' ' SER . 0.6 OUTLIER -72.57 173.94 8.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 72.120000000000005 110.966 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.3 m -138.4 174.66 10.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 61.409999999999997 110.875 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.5 t -132.27 145.3 51.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 42.340000000000003 110.862 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 ttp85 -78.03 89.61 4.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 72.219999999999999 110.868 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 71.230000000000004 110.838 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.879 0.371 . . . . 61.32 110.843 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.3 m 59.62 33.55 22.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 42.229999999999997 110.842 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.0 m -51.2 139.47 18.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 72.209999999999994 111.144 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.54 48.41 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 63.399999999999999 110.869 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -103.74 166.99 10.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 75.340000000000003 110.846 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.4 95.64 3.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 73.120000000000005 110.881 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -156.89 163.65 38.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 75.239999999999995 111.102 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -75.05 -21.18 59.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.349999999999994 110.922 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.414 HD12 ' C ' ' A' ' 9' ' ' ILE . 2.7 pp -116.94 173.34 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 61.109999999999999 111.105 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.9 m -146.72 -171.73 3.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 44.109999999999999 110.866 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -49.41 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 74.140000000000001 110.854 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.56 134.63 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 72.140000000000001 110.913 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.6 40.08 46.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 41.200000000000003 112.46 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -87.33 178.05 6.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 74.109999999999999 110.861 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.71 159.99 41.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 74.200000000000003 110.835 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -74.6 125.56 28.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 74.150000000000006 110.866 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.88 -23.1 6.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 64.25 110.858 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 146.3 -137.09 6.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 73.319999999999993 112.492 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -159.16 151.43 21.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.35 . . . . 73.420000000000002 110.849 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.9 p -142.42 136.68 29.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 64.140000000000001 110.861 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.2 pp -72.25 136.51 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 55.140000000000001 111.125 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.45 -49.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 64.129999999999995 110.858 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -127.59 24.02 6.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 61.310000000000002 110.918 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.51 110.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 75.230000000000004 110.926 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -147.76 115.4 0.76 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 52.350000000000001 112.498 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -83.91 -75.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.945 0.402 . . . . 72.109999999999999 110.871 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.2 m -93.82 89.32 6.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 53.119999999999997 111.154 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.55 174.78 12.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 72.25 110.956 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.68 134.89 7.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 51.439999999999998 110.863 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 mt -55.56 -179.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 73.319999999999993 110.916 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -138.62 104.49 5.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 74.430000000000007 110.872 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.3 -171.02 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 44.399999999999999 110.919 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.12 59.72 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 72.420000000000002 110.866 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 70.120000000000005 110.861 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.681 ' HA ' HD13 ' A' ' 30' ' ' LEU . 80.0 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.9 0.381 . . . . 71.239999999999995 110.864 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 32' ' ' CYS . 76.1 m -117.29 -14.02 10.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 54.25 110.921 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.428 HG22 ' CG ' ' A' ' 5' ' ' ARG . 2.3 m -160.18 90.97 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 55.409999999999997 111.121 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.7 98.42 2.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 74.140000000000001 110.872 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.428 ' CG ' HG22 ' A' ' 3' ' ' THR . 23.3 mtp85 -125.46 179.36 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 73.340000000000003 110.886 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.6 98.04 5.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 60.229999999999997 110.856 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -177.69 150.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 64.120000000000005 111.102 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -51.3 -61.71 2.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 73.209999999999994 110.916 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.8 pt -91.66 -174.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 63.020000000000003 111.147 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.0 m -110.48 -168.66 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 61.25 110.919 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -101.53 -23.56 14.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 70.219999999999999 110.864 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -135.59 -163.73 1.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 71.129999999999995 110.892 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.09 7.53 10.11 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.712 -0.756 . . . . 64.109999999999999 112.512 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 31' ' ' CYS . 1.2 mt-10 -49.11 166.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 74.120000000000005 110.862 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.76 165.72 18.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 73.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -77.74 142.84 38.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 65.340000000000003 110.845 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 t -158.54 48.39 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 73.329999999999998 110.841 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.52 135.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 72.030000000000001 112.483 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -176.28 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.343 . . . . 72.310000000000002 110.896 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.9 p -129.51 158.36 39.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 74.040000000000006 110.866 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.3 pt -90.37 49.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 74.430000000000007 111.127 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -105.31 -27.35 11.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 63.32 110.878 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -119.16 -67.94 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 74.540000000000006 110.913 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -179.3 -38.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 70.439999999999998 110.86 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 52.03 74.92 0.25 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 43.350000000000001 112.53 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -115.48 -21.96 9.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.995 0.426 . . . . 73.140000000000001 110.882 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.0 t -157.37 38.73 0.29 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 62.420000000000002 111.16 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -165.68 154.73 11.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 74.540000000000006 110.923 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.38 141.39 49.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 73.140000000000001 110.892 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.681 HD13 ' HA ' ' A' ' 1' ' ' SER . 4.6 pp -66.83 -177.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 75.230000000000004 110.944 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 14' ' ' GLU . 60.7 m -145.86 148.17 32.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 72.329999999999998 110.893 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.405 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 5.7 t -148.04 136.43 21.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.530000000000001 110.889 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -94.35 86.15 4.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 73.329999999999998 110.899 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 73.230000000000004 110.85 -179.892 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.432 ' HB2' HD12 ' A' ' 30' ' ' LEU . 5.9 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.928 0.395 . . . . 73.430000000000007 110.899 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.1 m -134.46 23.2 3.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 14.42 110.886 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.419 HG22 ' HD2' ' A' ' 5' ' ' ARG . 6.9 m -161.17 74.04 0.47 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 64.340000000000003 111.149 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.616 ' HA ' HD21 ' A' ' 30' ' ' LEU . 9.2 t -55.97 98.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 75.239999999999995 110.867 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.419 ' HD2' HG22 ' A' ' 3' ' ' THR . 7.3 ptm180 -157.67 -176.59 6.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 74.530000000000001 110.892 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.49 122.81 15.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 64.439999999999998 110.889 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -178.4 148.07 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 34.409999999999997 111.077 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.527 ' C ' HD13 ' A' ' 9' ' ' ILE . 2.1 m-90 -51.69 -29.69 19.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 73.430000000000007 110.879 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.552 HG22 ' H ' ' A' ' 10' ' ' CYS . 0.4 OUTLIER -116.58 -170.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 61.200000000000003 111.126 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.552 ' H ' HG22 ' A' ' 9' ' ' ILE . 34.8 m -135.79 -169.26 2.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 71.430000000000007 110.883 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -53.08 -77.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 73.219999999999999 110.879 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 179.45 124.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 75.299999999999997 110.93 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.74 36.03 31.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 44.509999999999998 112.489 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.25 178.48 5.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 74.430000000000007 110.854 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -114.74 -176.91 3.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 65.150000000000006 110.842 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -111.94 147.29 36.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 75.340000000000003 110.82 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.46 81.41 0.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 74.019999999999996 110.833 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.03 -168.11 1.02 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 52.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.3 161.4 29.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.871 0.367 . . . . 71.5 110.915 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.449 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -73.13 143.93 47.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 21.440000000000001 110.89 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.3 tt -70.32 -23.16 24.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 65.209999999999994 111.128 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.65 -169.85 2.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 75.420000000000002 110.842 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 50.76 -169.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 63.210000000000001 110.9 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.8 mtpt -135.35 -75.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.409999999999997 110.856 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.84 164.28 0.32 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 52.450000000000003 112.53 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.1 t -108.18 100.94 10.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.979 0.419 . . . . 62.210000000000001 110.895 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.05 18.63 9.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 55.340000000000003 111.138 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.12 156.21 29.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 62.310000000000002 110.887 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.89 125.47 16.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 74.239999999999995 110.89 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.616 HD21 ' HA ' ' A' ' 4' ' ' CYS . 0.3 OUTLIER -50.27 163.85 0.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 72.319999999999993 110.916 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 94.8 m -146.85 130.03 16.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 71.519999999999996 110.883 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.3 t -111.81 143.23 43.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 74.109999999999999 110.871 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -110.72 99.51 8.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 73.439999999999998 110.884 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 74.510000000000005 110.854 -179.901 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.915 0.388 . . . . 63.009999999999998 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.635 ' HB3' HD12 ' A' ' 30' ' ' LEU . 64.4 m 63.67 24.22 13.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 61.310000000000002 110.877 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.468 HG22 ' HG3' ' A' ' 5' ' ' ARG . 39.3 m -55.11 116.79 2.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 73.299999999999997 111.203 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 m -75.68 60.78 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 64.209999999999994 110.887 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.468 ' HG3' HG22 ' A' ' 3' ' ' THR . 12.5 mtt-85 -76.35 170.73 15.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.239999999999995 110.886 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.401 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -119.55 40.77 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 74.140000000000001 110.894 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -135.85 139.47 43.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 73.420000000000002 111.055 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -53.72 -27.23 27.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 74.239999999999995 110.952 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.437 HD12 ' C ' ' A' ' 9' ' ' ILE . 2.6 pp -93.87 168.24 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 73.010000000000005 111.152 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 82.0 m -146.95 -171.62 3.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 64.140000000000001 110.893 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -50.0 -75.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 72.310000000000002 110.913 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.72 133.65 0.11 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.166 -0.47 . . . . 73.510000000000005 110.951 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.63 40.18 47.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 33.219999999999999 112.467 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -85.34 -173.72 4.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.367 . . . . 73.129999999999995 110.84 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -146.11 155.27 42.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 54.299999999999997 110.905 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -85.0 124.73 32.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 64.349999999999994 110.873 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.16 2.17 7.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 61.219999999999999 110.835 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.453 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 93.0 126.02 4.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 70.430000000000007 112.444 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.76 168.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.322 . . . . 74.430000000000007 110.921 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.4 p -120.63 -170.92 2.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 54.399999999999999 110.894 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -124.15 -3.65 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 72.409999999999997 111.123 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -51.77 -74.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 73.409999999999997 110.91 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -95.32 -40.86 9.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 73.230000000000004 110.952 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.73 -176.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 64.049999999999997 110.926 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.67 82.41 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 62.32 112.49 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.38 -74.76 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.966 0.412 . . . . 70.219999999999999 110.81 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.6 p -94.9 26.54 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 70.230000000000004 111.124 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -151.86 -177.08 5.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.907 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.98 159.36 44.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 72.439999999999998 110.874 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.635 HD12 ' HB3' ' A' ' 2' ' ' CYS . 0.6 OUTLIER -74.85 -169.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 72.340000000000003 110.91 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.2 m -148.34 99.73 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 42.299999999999997 110.863 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.2 m -92.22 -175.99 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 62.299999999999997 110.876 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -160.65 129.71 4.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 45.210000000000001 110.885 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 72.450000000000003 110.855 -179.886 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.443 ' HA ' HD23 ' A' ' 30' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.896 0.379 . . . . 51.009999999999998 110.851 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.2 m -141.18 -69.59 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 72.129999999999995 110.887 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.651 HG21 ' CG ' ' A' ' 11' ' ' ARG . 22.3 m -77.33 68.93 3.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 74.329999999999998 111.181 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.0 m -65.9 99.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 63.310000000000002 110.877 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 -129.85 179.38 5.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 71.109999999999999 110.864 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.412 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -123.21 107.55 11.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 64.129999999999995 110.888 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -178.78 167.3 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.510000000000005 111.069 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.77 ' CD1' HG23 ' A' ' 9' ' ' ILE . 45.0 p90 -78.06 -3.11 40.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 62.229999999999997 110.898 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.77 HG23 ' CD1' ' A' ' 8' ' ' TRP . 2.8 pp -137.34 -177.2 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 73.129999999999995 111.091 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.4 m -126.42 174.42 8.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 63.25 110.86 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.651 ' CG ' HG21 ' A' ' 3' ' ' THR . 2.5 mmm180 -50.69 -75.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 64.510000000000005 110.865 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -167.74 124.66 1.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.454 . . . . 74.450000000000003 110.901 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.78 33.91 35.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 42.119999999999997 112.447 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -80.64 -179.27 7.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.329 . . . . 52.509999999999998 110.931 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -144.89 144.01 30.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 73.319999999999993 110.845 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -81.69 138.25 35.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 72.109999999999999 110.868 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.8 m -153.48 52.76 0.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 72.099999999999994 110.872 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.87 120.78 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.708 -0.758 . . . . 45.310000000000002 112.462 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.19 145.65 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 71.030000000000001 110.862 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.3 m -75.06 178.17 5.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 71.219999999999999 110.847 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.6 mp -58.41 -66.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 74.400000000000006 111.151 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -178.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 74.340000000000003 110.883 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 47.34 85.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.209999999999994 110.891 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -54.62 99.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 72.129999999999995 110.908 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.53 100.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 73.140000000000001 112.428 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.36 -23.58 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 65.239999999999995 110.842 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 m -161.73 27.63 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 73.219999999999999 111.11 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.412 ' CD2' ' HA ' ' A' ' 6' ' ' ARG . 9.7 p90 -152.4 142.89 22.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 74.019999999999996 110.9 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.72 128.02 56.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 74.420000000000002 110.901 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.636 HD22 ' N ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -53.29 174.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 74.120000000000005 110.952 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.636 ' N ' HD22 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -162.19 132.02 4.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.230000000000004 110.888 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.7 t -100.74 146.15 27.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 70.549999999999997 110.891 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.02 -173.12 3.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 72.439999999999998 110.882 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 62.340000000000003 110.882 -179.873 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.46 ' H3 ' ' N ' ' A' ' 32' ' ' CYS . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.901 0.381 . . . . 51.399999999999999 110.855 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 54.7 m -141.85 -60.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 74.200000000000003 110.9 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.6 m -65.58 90.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 74.010000000000005 111.094 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.541 ' SG ' HD21 ' A' ' 30' ' ' LEU . 1.3 m -67.28 88.06 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 42.520000000000003 110.867 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -136.05 168.83 18.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 73.530000000000001 110.878 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.42 95.47 4.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 74.049999999999997 110.88 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -149.51 177.15 9.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 41.219999999999999 111.109 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -94.41 -23.44 17.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 64.400000000000006 110.919 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 pp -123.44 177.86 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 71.329999999999998 111.127 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.4 m -119.55 163.87 16.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 54.200000000000003 110.898 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -51.11 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 75.129999999999995 110.867 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -174.06 134.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 74.400000000000006 110.917 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.44 39.34 44.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 72.140000000000001 112.463 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -86.74 153.76 21.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 74.310000000000002 110.88 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -73.77 -54.16 8.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 65.049999999999997 110.897 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 59.1 102.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 73.239999999999995 110.851 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 92.5 p -175.85 53.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 71.430000000000007 110.837 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 138.95 146.85 5.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.747 . . . . 63.229999999999997 112.449 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.625 ' HA ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -129.94 160.62 33.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.371 . . . . 73.540000000000006 110.882 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.0 p -95.8 -173.97 3.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 51.119999999999997 110.84 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.4 tt -131.69 23.18 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 70.430000000000007 111.124 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -72.83 -67.42 0.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 75.209999999999994 110.865 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.6 -22.57 61.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 63.520000000000003 110.871 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm 63.39 63.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 73.439999999999998 110.871 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.62 -150.33 10.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 72.420000000000002 112.519 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -92.1 -75.19 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.951 0.405 . . . . 74.239999999999995 110.832 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.53 38.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 73.329999999999998 111.146 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.469 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -57.58 -175.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 75.310000000000002 110.94 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.66 -24.26 5.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 63.5 110.875 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.625 HD22 ' HA ' ' A' ' 19' ' ' LYS . 0.4 OUTLIER 69.81 162.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 71.239999999999995 110.882 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 61.7 m -145.87 144.68 30.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 73.310000000000002 110.911 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.46 ' N ' ' H3 ' ' A' ' 1' ' ' SER . 37.7 t -101.63 146.73 27.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 65.310000000000002 110.867 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -147.8 127.53 13.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 75.549999999999997 110.908 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 72.310000000000002 110.917 -179.894 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.5 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.866 0.365 . . . . 60.43 110.83 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.3 m -160.96 82.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.24 111.109 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.601 ' SG ' HD11 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -58.75 97.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 70.32 110.9 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -136.22 155.68 49.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 74.01 110.864 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.87 99.27 6.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 72.31 110.856 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -172.2 152.78 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 73.15 111.102 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -59.72 -20.8 58.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 74.22 110.942 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.403 HD12 ' C ' ' A' ' 9' ' ' ILE . 2.7 pp -121.38 177.92 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 64.42 111.143 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.0 m -129.34 -169.77 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 63.41 110.904 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -57.31 -74.78 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 72.13 110.852 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -167.17 115.58 0.82 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.932 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.18 27.84 24.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 54.22 112.487 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -64.11 161.11 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 74.43 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.49 127.72 53.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 63.11 110.886 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -72.83 142.31 48.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.871 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.34 23.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 63.22 110.886 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.21 167.14 23.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.761 . . . . 72.03 112.495 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.561 ' HA ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -99.79 177.31 5.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 74.24 110.926 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.4 p -107.89 -176.43 3.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 52.55 110.906 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.4 pt -115.1 71.89 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 73.51 111.152 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.08 -42.52 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 72.53 110.836 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -114.57 -5.42 12.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 71.11 110.973 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.7 tttp 62.03 102.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 42.35 110.91 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.27 88.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 71.03 112.497 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -24.41 67.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.967 0.413 . . . . 44.31 110.862 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 t -175.62 -47.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 75.42 111.14 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -49.27 114.47 1.03 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 63.32 110.934 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.87 128.61 36.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 54.33 110.877 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.601 HD11 ' SG ' ' A' ' 4' ' ' CYS . 0.5 OUTLIER -59.99 -170.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 61.54 110.931 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -163.98 141.95 7.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 63.01 110.876 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.0 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 71.04 110.883 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.4 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.879 0.371 . . . . 74.03 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m -161.66 84.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 73.02 111.16 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.656 ' SG ' HD21 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -68.0 87.26 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 73.24 110.919 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -140.75 172.43 12.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.894 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.94 113.44 18.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 64.05 110.871 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -178.56 143.48 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 61.42 111.138 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -59.26 -20.45 54.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.246 -0.434 . . . . 73.41 110.962 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.42 ' C ' HD12 ' A' ' 9' ' ' ILE . 2.7 pp -115.37 177.2 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 53.0 111.141 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.6 m -130.4 -169.65 2.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 62.14 110.885 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -54.94 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.862 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 179.66 124.76 0.07 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.2 -0.454 . . . . 72.11 110.947 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.89 36.02 32.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 53.32 112.442 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.23 178.44 5.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 72.25 110.858 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.71 176.81 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 64.21 110.905 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -114.74 145.76 41.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.89 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.39 85.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 42.25 110.835 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.8 -168.92 31.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 53.44 112.512 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.426 ' C ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -130.13 -169.7 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 71.24 110.923 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -75.12 159.35 31.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 64.21 110.867 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -109.63 -20.59 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 64.42 111.09 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.0 -50.22 5.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 72.32 110.823 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -58.72 -76.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 71.3 110.924 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 mttt 178.62 -74.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 62.21 110.893 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.71 18.65 34.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 72.42 112.508 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 t -58.01 -23.96 56.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.968 0.413 . . . . 62.41 110.855 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.81 -71.93 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 63.32 111.168 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -46.32 115.83 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 73.44 110.933 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.05 130.92 42.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 71.32 110.878 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.656 HD21 ' SG ' ' A' ' 4' ' ' CYS . 3.6 mp -53.53 168.41 0.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 65.52 110.877 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.4 m -147.03 129.39 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 63.04 110.865 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.3 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 72.13 110.877 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.572 ' HA ' HD13 ' A' ' 30' ' ' LEU . 38.9 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.92 0.391 . . . . 70.14 110.902 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.6 m -51.55 125.31 14.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 74.44 111.168 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t -76.41 64.41 2.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 71.42 110.868 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -115.93 176.14 5.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 71.13 110.886 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.46 111.42 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 74.02 110.866 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -173.74 176.51 2.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 70.53 111.078 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.14 24.48 5.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 75.45 110.95 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.422 ' C ' HD12 ' A' ' 9' ' ' ILE . 2.8 pp -149.98 179.47 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 72.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.5 m -145.97 174.55 11.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 55.4 110.877 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -51.12 -75.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 73.21 110.889 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -172.9 131.29 0.51 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 64.25 110.926 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.34 37.38 39.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 31.01 112.495 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -88.14 -175.5 5.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 75.3 110.869 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.93 160.28 42.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.4 110.927 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -81.35 114.53 20.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 64.01 110.893 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.623 ' HB3' HD11 ' A' ' 30' ' ' LEU . 47.1 t -136.94 70.12 1.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 42.41 110.879 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.93 -170.28 45.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 44.1 112.494 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.48 41.73 2.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 74.22 110.887 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.627 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.2 OUTLIER 54.51 -176.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 54.24 110.939 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.1 pt -153.23 76.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 62.32 111.136 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -170.76 -74.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 64.41 110.885 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -68.31 -170.35 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 74.43 110.862 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -94.98 -169.41 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.936 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.13 115.7 1.21 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.764 -0.731 . . . . 54.1 112.517 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -52.04 -76.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.943 0.401 . . . . 55.12 110.84 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.58 24.35 5.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 55.31 111.119 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.28 166.85 4.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 74.45 110.906 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.73 133.38 14.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 74.33 110.85 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.627 HD23 ' H ' ' A' ' 20' ' ' CYS . 4.2 pp -57.53 -174.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 72.31 110.942 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.9 m -135.73 99.5 4.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 74.03 110.872 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 70.12 110.847 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.882 0.372 . . . . 74.43 110.912 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 m -162.01 81.96 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 71.04 111.132 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.2 m -50.38 104.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 71.54 110.863 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 66.8 mtp85 -146.54 164.79 31.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 64.24 110.859 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.33 -167.48 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.871 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 66.07 174.82 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 75.51 111.099 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.47 19.46 8.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 72.13 110.889 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.407 HD12 ' C ' ' A' ' 9' ' ' ILE . 2.7 pp -123.28 177.07 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 63.52 111.166 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.2 -173.25 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.891 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -50.49 -76.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.53 110.863 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -178.28 126.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 72.45 110.892 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.62 34.94 36.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 34.23 112.466 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -93.74 119.11 32.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.814 0.34 . . . . 74.4 110.895 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -59.1 135.22 57.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.875 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.75 149.6 21.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 74.35 110.847 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 m -166.69 74.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 72.5 110.868 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.97 -142.28 47.99 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 53.43 112.482 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.718 ' HA ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -149.82 169.35 21.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 72.23 110.927 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.2 p -94.69 -2.04 51.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 51.35 110.886 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 77.5 mt 51.5 88.58 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 64.25 111.112 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -158.94 -74.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 72.55 110.869 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -65.36 164.42 13.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 75.13 110.95 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -169.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.885 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.64 143.82 8.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.695 -0.764 . . . . 34.34 112.487 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.8 t -64.93 -75.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.919 0.39 . . . . 75.11 110.872 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.3 -52.64 8.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 72.41 111.112 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.6 t80 65.37 116.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 74.25 110.91 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.83 101.92 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 74.15 110.909 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.718 HD22 ' HA ' ' A' ' 19' ' ' LYS . 0.6 OUTLIER -72.57 173.94 8.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 72.12 110.966 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.3 m -138.4 174.66 10.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 61.41 110.875 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.5 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 42.34 110.862 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.3 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.885 0.374 . . . . 42.23 110.842 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.0 m -51.2 139.47 18.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 72.21 111.144 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.54 48.41 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 63.4 110.869 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -103.74 166.99 10.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 75.34 110.846 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.4 95.64 3.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 73.12 110.881 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -156.89 163.65 38.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 75.24 111.102 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -75.05 -21.18 59.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.35 110.922 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.414 ' C ' HD12 ' A' ' 9' ' ' ILE . 2.7 pp -116.94 173.34 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 61.11 111.105 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.9 m -146.72 -171.73 3.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 44.11 110.866 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -49.41 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 74.14 110.854 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.56 134.63 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 72.14 110.913 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.6 40.08 46.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 41.2 112.46 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -87.33 178.05 6.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 74.11 110.861 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.71 159.99 41.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 74.2 110.835 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -74.6 125.56 28.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 74.15 110.866 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.88 -23.1 6.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 64.25 110.858 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 146.3 -137.09 6.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 73.32 112.492 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -159.16 151.43 21.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.35 . . . . 73.42 110.849 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.9 p -142.42 136.68 29.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 64.14 110.861 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.2 pp -72.25 136.51 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 55.14 111.125 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.45 -49.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 64.13 110.858 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -127.59 24.02 6.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 61.31 110.918 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.51 110.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 75.23 110.926 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -147.76 115.4 0.76 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 52.35 112.498 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -83.91 -75.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.945 0.402 . . . . 72.11 110.871 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.2 m -93.82 89.32 6.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 53.12 111.154 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.55 174.78 12.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 72.25 110.956 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.68 134.89 7.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 51.44 110.863 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 mt -55.56 -179.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.916 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -138.62 104.49 5.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.872 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 44.4 110.919 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 32' ' ' CYS . 76.1 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.886 0.374 . . . . 54.25 110.921 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.428 HG22 ' CG ' ' A' ' 5' ' ' ARG . 2.3 m -160.18 90.97 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 55.41 111.121 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.7 98.42 2.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 74.14 110.872 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.428 ' CG ' HG22 ' A' ' 3' ' ' THR . 23.3 mtp85 -125.46 179.36 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 73.34 110.886 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.6 98.04 5.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 60.23 110.856 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -177.69 150.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 64.12 111.102 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -51.3 -61.71 2.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 73.21 110.916 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.8 pt -91.66 -174.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 63.02 111.147 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.0 m -110.48 -168.66 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 61.25 110.919 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -101.53 -23.56 14.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 70.22 110.864 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -135.59 -163.73 1.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 71.13 110.892 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.09 7.53 10.11 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.712 -0.756 . . . . 64.11 112.512 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 31' ' ' CYS . 1.2 mt-10 -49.11 166.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 74.12 110.862 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.76 165.72 18.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 73.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -77.74 142.84 38.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 65.34 110.845 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 t -158.54 48.39 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 73.33 110.841 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.52 135.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 72.03 112.483 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -176.28 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.343 . . . . 72.31 110.896 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.9 p -129.51 158.36 39.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 74.04 110.866 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.3 pt -90.37 49.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 74.43 111.127 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -105.31 -27.35 11.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 63.32 110.878 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -119.16 -67.94 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 74.54 110.913 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -179.3 -38.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 70.44 110.86 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 52.03 74.92 0.25 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 43.35 112.53 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -115.48 -21.96 9.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.995 0.426 . . . . 73.14 110.882 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.0 t -157.37 38.73 0.29 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 62.42 111.16 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -165.68 154.73 11.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 74.54 110.923 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.38 141.39 49.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.892 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.447 ' C ' HD12 ' A' ' 30' ' ' LEU . 4.6 pp -66.83 -177.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 75.23 110.944 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 14' ' ' GLU . 60.7 m -145.86 148.17 32.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 72.33 110.893 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.405 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 5.7 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.53 110.889 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.1 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.933 0.397 . . . . 14.42 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.419 HG22 ' HD2' ' A' ' 5' ' ' ARG . 6.9 m -161.17 74.04 0.47 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 64.34 111.149 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.616 ' HA ' HD21 ' A' ' 30' ' ' LEU . 9.2 t -55.97 98.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.867 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.419 ' HD2' HG22 ' A' ' 3' ' ' THR . 7.3 ptm180 -157.67 -176.59 6.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 74.53 110.892 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.49 122.81 15.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 64.44 110.889 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -178.4 148.07 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 34.41 111.077 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.527 ' C ' HD13 ' A' ' 9' ' ' ILE . 2.1 m-90 -51.69 -29.69 19.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.879 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.552 HG22 ' H ' ' A' ' 10' ' ' CYS . 0.4 OUTLIER -116.58 -170.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 61.2 111.126 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.552 ' H ' HG22 ' A' ' 9' ' ' ILE . 34.8 m -135.79 -169.26 2.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 71.43 110.883 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -53.08 -77.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.879 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 179.45 124.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 75.3 110.93 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.74 36.03 31.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 44.51 112.489 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.25 178.48 5.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 74.43 110.854 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -114.74 -176.91 3.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 65.15 110.842 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -111.94 147.29 36.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 75.34 110.82 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.46 81.41 0.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 74.02 110.833 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.03 -168.11 1.02 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 52.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.3 161.4 29.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.871 0.367 . . . . 71.5 110.915 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.449 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -73.13 143.93 47.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 21.44 110.89 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.3 tt -70.32 -23.16 24.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 65.21 111.128 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.65 -169.85 2.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 75.42 110.842 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 50.76 -169.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 63.21 110.9 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.8 mtpt -135.35 -75.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.856 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.84 164.28 0.32 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 52.45 112.53 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.1 t -108.18 100.94 10.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.979 0.419 . . . . 62.21 110.895 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.05 18.63 9.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 55.34 111.138 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.12 156.21 29.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 62.31 110.887 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.89 125.47 16.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 74.24 110.89 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.616 HD21 ' HA ' ' A' ' 4' ' ' CYS . 0.3 OUTLIER -50.27 163.85 0.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 72.32 110.916 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 94.8 m -146.85 130.03 16.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 71.52 110.883 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.3 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.871 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.635 ' HB3' HD12 ' A' ' 30' ' ' LEU . 64.4 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.843 0.354 . . . . 61.31 110.877 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.468 HG22 ' HG3' ' A' ' 5' ' ' ARG . 39.3 m -55.11 116.79 2.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 73.3 111.203 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 m -75.68 60.78 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 64.21 110.887 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.468 ' HG3' HG22 ' A' ' 3' ' ' THR . 12.5 mtt-85 -76.35 170.73 15.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.24 110.886 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.401 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -119.55 40.77 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 74.14 110.894 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -135.85 139.47 43.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 73.42 111.055 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -53.72 -27.23 27.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.952 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.437 ' C ' HD12 ' A' ' 9' ' ' ILE . 2.6 pp -93.87 168.24 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 73.01 111.152 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 82.0 m -146.95 -171.62 3.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 64.14 110.893 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -50.0 -75.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 72.31 110.913 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.72 133.65 0.11 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.166 -0.47 . . . . 73.51 110.951 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.63 40.18 47.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 33.22 112.467 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -85.34 -173.72 4.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.367 . . . . 73.13 110.84 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -146.11 155.27 42.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 54.3 110.905 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -85.0 124.73 32.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 64.35 110.873 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.16 2.17 7.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 61.22 110.835 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.453 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 93.0 126.02 4.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 70.43 112.444 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.76 168.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.322 . . . . 74.43 110.921 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.4 p -120.63 -170.92 2.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 54.4 110.894 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -124.15 -3.65 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 72.41 111.123 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -51.77 -74.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.91 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -95.32 -40.86 9.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 73.23 110.952 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.73 -176.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 64.05 110.926 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.67 82.41 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 62.32 112.49 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.38 -74.76 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.966 0.412 . . . . 70.22 110.81 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.6 p -94.9 26.54 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 70.23 111.124 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -151.86 -177.08 5.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.907 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.98 159.36 44.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 72.44 110.874 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.635 HD12 ' HB3' ' A' ' 2' ' ' CYS . 0.6 OUTLIER -74.85 -169.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 72.34 110.91 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.2 m -148.34 99.73 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 42.3 110.863 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.2 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 62.3 110.876 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.2 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.925 0.393 . . . . 72.13 110.887 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.651 HG21 ' CG ' ' A' ' 11' ' ' ARG . 22.3 m -77.33 68.93 3.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 74.33 111.181 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.0 m -65.9 99.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 63.31 110.877 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 -129.85 179.38 5.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 71.11 110.864 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.412 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -123.21 107.55 11.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 64.13 110.888 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -178.78 167.3 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.51 111.069 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.77 ' CD1' HG23 ' A' ' 9' ' ' ILE . 45.0 p90 -78.06 -3.11 40.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 62.23 110.898 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.77 HG23 ' CD1' ' A' ' 8' ' ' TRP . 2.8 pp -137.34 -177.2 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 73.13 111.091 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.4 m -126.42 174.42 8.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 63.25 110.86 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.651 ' CG ' HG21 ' A' ' 3' ' ' THR . 2.5 mmm180 -50.69 -75.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 64.51 110.865 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -167.74 124.66 1.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.454 . . . . 74.45 110.901 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.78 33.91 35.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 42.12 112.447 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -80.64 -179.27 7.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.329 . . . . 52.51 110.931 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -144.89 144.01 30.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 73.32 110.845 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -81.69 138.25 35.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 72.11 110.868 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.8 m -153.48 52.76 0.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 72.1 110.872 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.87 120.78 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.708 -0.758 . . . . 45.31 112.462 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.19 145.65 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 71.03 110.862 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.3 m -75.06 178.17 5.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 71.22 110.847 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.6 mp -58.41 -66.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 74.4 111.151 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -178.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 74.34 110.883 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 47.34 85.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.891 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -54.62 99.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 72.13 110.908 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.53 100.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 73.14 112.428 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.36 -23.58 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 65.24 110.842 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 m -161.73 27.63 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 73.22 111.11 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.412 ' CD2' ' HA ' ' A' ' 6' ' ' ARG . 9.7 p90 -152.4 142.89 22.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.9 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.72 128.02 56.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 74.42 110.901 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.636 HD22 ' N ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -53.29 174.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.952 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.636 ' N ' HD22 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -162.19 132.02 4.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.888 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.7 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 70.55 110.891 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 54.7 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.898 0.38 . . . . 74.2 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.6 m -65.58 90.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 74.01 111.094 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.541 ' SG ' HD21 ' A' ' 30' ' ' LEU . 1.3 m -67.28 88.06 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 42.52 110.867 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -136.05 168.83 18.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 73.53 110.878 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.42 95.47 4.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 74.05 110.88 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -149.51 177.15 9.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 41.22 111.109 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -94.41 -23.44 17.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 64.4 110.919 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 pp -123.44 177.86 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 71.33 111.127 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.4 m -119.55 163.87 16.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 54.2 110.898 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -51.11 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 75.13 110.867 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -174.06 134.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 74.4 110.917 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.44 39.34 44.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 72.14 112.463 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -86.74 153.76 21.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 74.31 110.88 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -73.77 -54.16 8.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 65.05 110.897 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 59.1 102.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 73.24 110.851 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 92.5 p -175.85 53.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 71.43 110.837 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 138.95 146.85 5.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.747 . . . . 63.23 112.449 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.625 ' HA ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -129.94 160.62 33.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.371 . . . . 73.54 110.882 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.0 p -95.8 -173.97 3.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 51.12 110.84 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.4 tt -131.69 23.18 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 70.43 111.124 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -72.83 -67.42 0.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.865 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.6 -22.57 61.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 63.52 110.871 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm 63.39 63.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 73.44 110.871 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.62 -150.33 10.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 72.42 112.519 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -92.1 -75.19 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.951 0.405 . . . . 74.24 110.832 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.53 38.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 73.33 111.146 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -57.58 -175.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 75.31 110.94 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.66 -24.26 5.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 63.5 110.875 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.625 HD22 ' HA ' ' A' ' 19' ' ' LYS . 0.4 OUTLIER 69.81 162.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 71.24 110.882 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 61.7 m -145.87 144.68 30.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.911 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 37.7 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 65.31 110.867 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.5 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.954 0.407 . . . . 71.34 110.844 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.5 m -136.53 13.37 3.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 60.43 110.83 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.3 m -160.96 82.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.24 111.109 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.601 ' SG ' HD11 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -58.75 97.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 70.32 110.9 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -136.22 155.68 49.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 74.01 110.864 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.87 99.27 6.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 72.31 110.856 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -172.2 152.78 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 73.15 111.102 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -59.72 -20.8 58.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 74.22 110.942 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.403 HD12 ' C ' ' A' ' 9' ' ' ILE . 2.7 pp -121.38 177.92 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 64.42 111.143 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.0 m -129.34 -169.77 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 63.41 110.904 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -57.31 -74.78 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 72.13 110.852 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -167.17 115.58 0.82 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.932 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.18 27.84 24.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 54.22 112.487 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -64.11 161.11 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 74.43 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.49 127.72 53.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 63.11 110.886 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -72.83 142.31 48.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.871 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.34 23.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 63.22 110.886 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.21 167.14 23.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.761 . . . . 72.03 112.495 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.561 ' HA ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -99.79 177.31 5.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 74.24 110.926 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.4 p -107.89 -176.43 3.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 52.55 110.906 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.4 pt -115.1 71.89 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 73.51 111.152 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.08 -42.52 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 72.53 110.836 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -114.57 -5.42 12.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 71.11 110.973 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.7 tttp 62.03 102.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 42.35 110.91 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.27 88.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 71.03 112.497 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -24.41 67.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.967 0.413 . . . . 44.31 110.862 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.7 t -175.62 -47.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 75.42 111.14 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -49.27 114.47 1.03 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 63.32 110.934 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.87 128.61 36.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 54.33 110.877 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.601 HD11 ' SG ' ' A' ' 4' ' ' CYS . 0.5 OUTLIER -59.99 -170.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 61.54 110.931 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -163.98 141.95 7.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 63.01 110.876 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.0 t -111.22 142.79 42.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 71.04 110.883 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -108.27 97.41 7.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 62.21 110.871 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.51 110.885 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.722 ' HB2' HD23 ' A' ' 30' ' ' LEU . 1.6 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.923 0.392 . . . . 71.21 110.856 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.4 m -130.62 29.35 4.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 74.03 110.869 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m -161.66 84.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 73.02 111.16 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.656 ' SG ' HD21 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -68.0 87.26 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 73.24 110.919 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -140.75 172.43 12.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.894 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.94 113.44 18.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 64.05 110.871 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -178.56 143.48 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 61.42 111.138 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -59.26 -20.45 54.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.246 -0.434 . . . . 73.41 110.962 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.42 ' C ' HD12 ' A' ' 9' ' ' ILE . 2.7 pp -115.37 177.2 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 53.0 111.141 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.6 m -130.4 -169.65 2.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 62.14 110.885 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -54.94 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.862 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 179.66 124.76 0.07 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.2 -0.454 . . . . 72.11 110.947 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.89 36.02 32.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 53.32 112.442 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.23 178.44 5.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 72.25 110.858 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.71 176.81 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 64.21 110.905 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -114.74 145.76 41.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.89 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.39 85.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 42.25 110.835 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.8 -168.92 31.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 53.44 112.512 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.426 ' C ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -130.13 -169.7 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 71.24 110.923 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -75.12 159.35 31.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 64.21 110.867 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -109.63 -20.59 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 64.42 111.09 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.0 -50.22 5.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 72.32 110.823 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -58.72 -76.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 71.3 110.924 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 mttt 178.62 -74.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 62.21 110.893 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.71 18.65 34.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 72.42 112.508 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 t -58.01 -23.96 56.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.968 0.413 . . . . 62.41 110.855 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.81 -71.93 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 63.32 111.168 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -46.32 115.83 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 73.44 110.933 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.05 130.92 42.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 71.32 110.878 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.722 HD23 ' HB2' ' A' ' 1' ' ' SER . 3.6 mp -53.53 168.41 0.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 65.52 110.877 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.4 m -147.03 129.39 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 63.04 110.865 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.3 t -106.2 143.24 34.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 72.13 110.877 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -130.72 106.46 8.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 62.24 110.873 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 74.52 110.864 -179.911 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.1 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.904 0.383 . . . . 73.34 110.848 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.572 ' HA ' HD13 ' A' ' 30' ' ' LEU . 38.9 m 59.31 28.99 18.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 70.14 110.902 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.6 m -51.55 125.31 14.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 74.44 111.168 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t -76.41 64.41 2.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 71.42 110.868 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -115.93 176.14 5.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 71.13 110.886 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.46 111.42 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 74.02 110.866 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -173.74 176.51 2.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 70.53 111.078 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.14 24.48 5.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 75.45 110.95 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.422 ' C ' HD12 ' A' ' 9' ' ' ILE . 2.8 pp -149.98 179.47 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 72.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 71.5 m -145.97 174.55 11.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 55.4 110.877 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -51.12 -75.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 73.21 110.889 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.7 m95 -172.9 131.29 0.51 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 64.25 110.926 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.34 37.38 39.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 31.01 112.495 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -88.14 -175.5 5.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 75.3 110.869 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.93 160.28 42.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.4 110.927 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -81.35 114.53 20.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 64.01 110.893 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.623 ' HB3' HD11 ' A' ' 30' ' ' LEU . 47.1 t -136.94 70.12 1.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 42.41 110.879 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.93 -170.28 45.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 44.1 112.494 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.48 41.73 2.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 74.22 110.887 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.627 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.2 OUTLIER 54.51 -176.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 54.24 110.939 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.1 pt -153.23 76.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 62.32 111.136 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -170.76 -74.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 64.41 110.885 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -68.31 -170.35 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 74.43 110.862 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -94.98 -169.41 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.936 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.13 115.7 1.21 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.764 -0.731 . . . . 54.1 112.517 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -52.04 -76.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.943 0.401 . . . . 55.12 110.84 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.58 24.35 5.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 55.31 111.119 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.28 166.85 4.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 74.45 110.906 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.73 133.38 14.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 74.33 110.85 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.627 HD23 ' H ' ' A' ' 20' ' ' CYS . 4.2 pp -57.53 -174.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 72.31 110.942 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.9 m -135.73 99.5 4.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 74.03 110.872 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.4 146.48 42.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 70.12 110.847 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -130.56 64.54 1.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 70.04 110.876 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 74.52 110.866 -179.928 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.79 ' HB2' HD11 ' A' ' 30' ' ' LEU . 6.7 p . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.942 0.401 . . . . 44.52 110.907 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.8 m -141.23 16.99 2.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 74.43 110.912 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 m -162.01 81.96 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 71.04 111.132 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.2 m -50.38 104.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 71.54 110.863 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 66.8 mtp85 -146.54 164.79 31.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 64.24 110.859 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.33 -167.48 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.871 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 66.07 174.82 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 75.51 111.099 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.47 19.46 8.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 72.13 110.889 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.407 HD12 ' C ' ' A' ' 9' ' ' ILE . 2.7 pp -123.28 177.07 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 63.52 111.166 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.2 -173.25 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.891 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -50.49 -76.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.53 110.863 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -178.28 126.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 72.45 110.892 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.62 34.94 36.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 34.23 112.466 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -93.74 119.11 32.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.814 0.34 . . . . 74.4 110.895 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -59.1 135.22 57.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.875 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.75 149.6 21.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 74.35 110.847 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 m -166.69 74.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 72.5 110.868 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.97 -142.28 47.99 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 53.43 112.482 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.718 ' HA ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -149.82 169.35 21.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 72.23 110.927 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.2 p -94.69 -2.04 51.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 51.35 110.886 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 77.5 mt 51.5 88.58 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 64.25 111.112 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -158.94 -74.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 72.55 110.869 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -65.36 164.42 13.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 75.13 110.95 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -169.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.885 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.64 143.82 8.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.695 -0.764 . . . . 34.34 112.487 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.8 t -64.93 -75.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.919 0.39 . . . . 75.11 110.872 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.3 -52.64 8.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 72.41 111.112 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.6 t80 65.37 116.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 74.25 110.91 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.83 101.92 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 74.15 110.909 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.79 HD11 ' HB2' ' A' ' 1' ' ' SER . 0.6 OUTLIER -72.57 173.94 8.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 72.12 110.966 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.3 m -138.4 174.66 10.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 61.41 110.875 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.5 t -132.27 145.3 51.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 42.34 110.862 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 ttp85 -78.03 89.61 4.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 72.22 110.868 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 71.23 110.838 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.879 0.371 . . . . 61.32 110.843 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.3 m 59.62 33.55 22.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 42.23 110.842 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.0 m -51.2 139.47 18.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 72.21 111.144 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.54 48.41 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 63.4 110.869 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -103.74 166.99 10.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 75.34 110.846 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.4 95.64 3.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 73.12 110.881 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -156.89 163.65 38.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 75.24 111.102 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -75.05 -21.18 59.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.35 110.922 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.414 ' C ' HD12 ' A' ' 9' ' ' ILE . 2.7 pp -116.94 173.34 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 61.11 111.105 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.9 m -146.72 -171.73 3.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 44.11 110.866 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -49.41 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 74.14 110.854 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.56 134.63 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 72.14 110.913 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.6 40.08 46.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 41.2 112.46 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -87.33 178.05 6.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 74.11 110.861 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.71 159.99 41.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 74.2 110.835 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -74.6 125.56 28.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 74.15 110.866 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.88 -23.1 6.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 64.25 110.858 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 146.3 -137.09 6.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 73.32 112.492 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -159.16 151.43 21.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.35 . . . . 73.42 110.849 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.9 p -142.42 136.68 29.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 64.14 110.861 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.2 pp -72.25 136.51 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 55.14 111.125 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.45 -49.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 64.13 110.858 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -127.59 24.02 6.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 61.31 110.918 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.51 110.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 75.23 110.926 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -147.76 115.4 0.76 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 52.35 112.498 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -83.91 -75.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.945 0.402 . . . . 72.11 110.871 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.2 m -93.82 89.32 6.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 53.12 111.154 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.55 174.78 12.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 72.25 110.956 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.68 134.89 7.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 51.44 110.863 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 mt -55.56 -179.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.916 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -138.62 104.49 5.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.872 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.3 -171.02 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 44.4 110.919 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.12 59.72 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 72.42 110.866 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 70.12 110.861 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.681 ' HA ' HD13 ' A' ' 30' ' ' LEU . 80.0 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.9 0.381 . . . . 71.24 110.864 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 32' ' ' CYS . 76.1 m -117.29 -14.02 10.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 54.25 110.921 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.428 HG22 ' CG ' ' A' ' 5' ' ' ARG . 2.3 m -160.18 90.97 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 55.41 111.121 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.7 98.42 2.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 74.14 110.872 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.428 ' CG ' HG22 ' A' ' 3' ' ' THR . 23.3 mtp85 -125.46 179.36 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 73.34 110.886 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.6 98.04 5.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 60.23 110.856 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -177.69 150.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 64.12 111.102 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -51.3 -61.71 2.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 73.21 110.916 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.8 pt -91.66 -174.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 63.02 111.147 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.0 m -110.48 -168.66 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 61.25 110.919 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -101.53 -23.56 14.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 70.22 110.864 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -135.59 -163.73 1.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 71.13 110.892 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.09 7.53 10.11 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.712 -0.756 . . . . 64.11 112.512 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 31' ' ' CYS . 1.2 mt-10 -49.11 166.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 74.12 110.862 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.76 165.72 18.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 73.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -77.74 142.84 38.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 65.34 110.845 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 t -158.54 48.39 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 73.33 110.841 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.52 135.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 72.03 112.483 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -176.28 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.343 . . . . 72.31 110.896 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.9 p -129.51 158.36 39.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 74.04 110.866 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.3 pt -90.37 49.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 74.43 111.127 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -105.31 -27.35 11.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 63.32 110.878 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -119.16 -67.94 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 74.54 110.913 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -179.3 -38.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 70.44 110.86 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 52.03 74.92 0.25 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 43.35 112.53 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -115.48 -21.96 9.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.995 0.426 . . . . 73.14 110.882 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.0 t -157.37 38.73 0.29 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 62.42 111.16 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -165.68 154.73 11.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 74.54 110.923 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.38 141.39 49.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.892 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.681 HD13 ' HA ' ' A' ' 1' ' ' SER . 4.6 pp -66.83 -177.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 75.23 110.944 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 14' ' ' GLU . 60.7 m -145.86 148.17 32.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 72.33 110.893 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.405 ' HA ' ' HB2' ' A' ' 2' ' ' CYS . 5.7 t -148.04 136.43 21.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.53 110.889 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -94.35 86.15 4.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 73.33 110.899 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.85 -179.892 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.432 ' HB2' HD12 ' A' ' 30' ' ' LEU . 5.9 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.928 0.395 . . . . 73.43 110.899 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.1 m -134.46 23.2 3.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 14.42 110.886 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.419 HG22 ' HD2' ' A' ' 5' ' ' ARG . 6.9 m -161.17 74.04 0.47 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 64.34 111.149 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.616 ' HA ' HD21 ' A' ' 30' ' ' LEU . 9.2 t -55.97 98.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.867 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.419 ' HD2' HG22 ' A' ' 3' ' ' THR . 7.3 ptm180 -157.67 -176.59 6.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 74.53 110.892 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.49 122.81 15.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 64.44 110.889 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -178.4 148.07 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 34.41 111.077 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.527 ' C ' HD13 ' A' ' 9' ' ' ILE . 2.1 m-90 -51.69 -29.69 19.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.879 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.552 HG22 ' H ' ' A' ' 10' ' ' CYS . 0.4 OUTLIER -116.58 -170.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 61.2 111.126 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.552 ' H ' HG22 ' A' ' 9' ' ' ILE . 34.8 m -135.79 -169.26 2.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 71.43 110.883 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -53.08 -77.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.879 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 179.45 124.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 75.3 110.93 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 50.74 36.03 31.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 44.51 112.489 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.25 178.48 5.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 74.43 110.854 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -114.74 -176.91 3.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 65.15 110.842 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -111.94 147.29 36.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 75.34 110.82 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.46 81.41 0.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 74.02 110.833 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.03 -168.11 1.02 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 52.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.3 161.4 29.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.871 0.367 . . . . 71.5 110.915 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.449 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -73.13 143.93 47.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 21.44 110.89 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.3 tt -70.32 -23.16 24.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 65.21 111.128 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.65 -169.85 2.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 75.42 110.842 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 50.76 -169.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 63.21 110.9 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.8 mtpt -135.35 -75.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.856 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.84 164.28 0.32 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 52.45 112.53 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.1 t -108.18 100.94 10.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.979 0.419 . . . . 62.21 110.895 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.05 18.63 9.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 55.34 111.138 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.12 156.21 29.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 62.31 110.887 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.89 125.47 16.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 74.24 110.89 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.616 HD21 ' HA ' ' A' ' 4' ' ' CYS . 0.3 OUTLIER -50.27 163.85 0.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 72.32 110.916 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 94.8 m -146.85 130.03 16.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 71.52 110.883 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.3 t -111.81 143.23 43.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.871 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -110.72 99.51 8.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 73.44 110.884 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 74.51 110.854 -179.901 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.915 0.388 . . . . 63.01 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.635 ' HB3' HD12 ' A' ' 30' ' ' LEU . 64.4 m 63.67 24.22 13.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 61.31 110.877 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.468 HG22 ' HG3' ' A' ' 5' ' ' ARG . 39.3 m -55.11 116.79 2.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 73.3 111.203 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 m -75.68 60.78 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 64.21 110.887 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.468 ' HG3' HG22 ' A' ' 3' ' ' THR . 12.5 mtt-85 -76.35 170.73 15.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.24 110.886 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.401 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -119.55 40.77 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 74.14 110.894 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -135.85 139.47 43.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 73.42 111.055 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -53.72 -27.23 27.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.952 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.437 ' C ' HD12 ' A' ' 9' ' ' ILE . 2.6 pp -93.87 168.24 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 73.01 111.152 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 82.0 m -146.95 -171.62 3.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 64.14 110.893 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -50.0 -75.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 72.31 110.913 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.72 133.65 0.11 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.166 -0.47 . . . . 73.51 110.951 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.63 40.18 47.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 33.22 112.467 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -85.34 -173.72 4.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.367 . . . . 73.13 110.84 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -146.11 155.27 42.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 54.3 110.905 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -85.0 124.73 32.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 64.35 110.873 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.16 2.17 7.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 61.22 110.835 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.453 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 93.0 126.02 4.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 70.43 112.444 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.76 168.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.322 . . . . 74.43 110.921 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.4 p -120.63 -170.92 2.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 54.4 110.894 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -124.15 -3.65 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 72.41 111.123 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -51.77 -74.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.91 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -95.32 -40.86 9.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 73.23 110.952 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.73 -176.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 64.05 110.926 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 147.67 82.41 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 62.32 112.49 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.38 -74.76 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.966 0.412 . . . . 70.22 110.81 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.6 p -94.9 26.54 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 70.23 111.124 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -151.86 -177.08 5.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.907 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.98 159.36 44.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 72.44 110.874 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.635 HD12 ' HB3' ' A' ' 2' ' ' CYS . 0.6 OUTLIER -74.85 -169.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 72.34 110.91 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.2 m -148.34 99.73 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 42.3 110.863 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.2 m -92.22 -175.99 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 62.3 110.876 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -160.65 129.71 4.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 45.21 110.885 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 72.45 110.855 -179.886 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.443 ' HA ' HD23 ' A' ' 30' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.896 0.379 . . . . 51.01 110.851 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.2 m -141.18 -69.59 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 72.13 110.887 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.651 HG21 ' CG ' ' A' ' 11' ' ' ARG . 22.3 m -77.33 68.93 3.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 74.33 111.181 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.0 m -65.9 99.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 63.31 110.877 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 -129.85 179.38 5.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 71.11 110.864 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.412 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -123.21 107.55 11.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 64.13 110.888 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -178.78 167.3 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.51 111.069 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.77 ' CD1' HG23 ' A' ' 9' ' ' ILE . 45.0 p90 -78.06 -3.11 40.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 62.23 110.898 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.77 HG23 ' CD1' ' A' ' 8' ' ' TRP . 2.8 pp -137.34 -177.2 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 73.13 111.091 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.4 m -126.42 174.42 8.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 63.25 110.86 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.651 ' CG ' HG21 ' A' ' 3' ' ' THR . 2.5 mmm180 -50.69 -75.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 64.51 110.865 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -167.74 124.66 1.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.454 . . . . 74.45 110.901 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.78 33.91 35.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 42.12 112.447 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -80.64 -179.27 7.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.329 . . . . 52.51 110.931 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -144.89 144.01 30.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 73.32 110.845 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -81.69 138.25 35.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 72.11 110.868 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.8 m -153.48 52.76 0.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 72.1 110.872 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.87 120.78 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.708 -0.758 . . . . 45.31 112.462 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.19 145.65 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 71.03 110.862 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.3 m -75.06 178.17 5.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 71.22 110.847 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.6 mp -58.41 -66.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 74.4 111.151 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.25 -178.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 74.34 110.883 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 47.34 85.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.891 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -54.62 99.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 72.13 110.908 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.53 100.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 73.14 112.428 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.36 -23.58 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 65.24 110.842 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 m -161.73 27.63 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 73.22 111.11 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.412 ' CD2' ' HA ' ' A' ' 6' ' ' ARG . 9.7 p90 -152.4 142.89 22.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.9 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.72 128.02 56.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 74.42 110.901 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.636 HD22 ' N ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -53.29 174.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.952 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.636 ' N ' HD22 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -162.19 132.02 4.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.888 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.7 t -100.74 146.15 27.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 70.55 110.891 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.02 -173.12 3.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 72.44 110.882 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 62.34 110.882 -179.873 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.46 ' H3 ' ' N ' ' A' ' 32' ' ' CYS . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.901 0.381 . . . . 51.4 110.855 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 54.7 m -141.85 -60.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 74.2 110.9 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.6 m -65.58 90.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 74.01 111.094 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.541 ' SG ' HD21 ' A' ' 30' ' ' LEU . 1.3 m -67.28 88.06 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 42.52 110.867 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -136.05 168.83 18.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 73.53 110.878 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.42 95.47 4.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 74.05 110.88 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -149.51 177.15 9.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 41.22 111.109 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -94.41 -23.44 17.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 64.4 110.919 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 pp -123.44 177.86 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 71.33 111.127 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.4 m -119.55 163.87 16.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 54.2 110.898 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -51.11 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 75.13 110.867 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -174.06 134.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 74.4 110.917 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.44 39.34 44.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 72.14 112.463 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -86.74 153.76 21.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 74.31 110.88 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -73.77 -54.16 8.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 65.05 110.897 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 59.1 102.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 73.24 110.851 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 92.5 p -175.85 53.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 71.43 110.837 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 138.95 146.85 5.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.747 . . . . 63.23 112.449 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.625 ' HA ' HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -129.94 160.62 33.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.371 . . . . 73.54 110.882 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.0 p -95.8 -173.97 3.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 51.12 110.84 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.4 tt -131.69 23.18 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 70.43 111.124 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -72.83 -67.42 0.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.865 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.6 -22.57 61.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 63.52 110.871 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm 63.39 63.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 73.44 110.871 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.62 -150.33 10.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 72.42 112.519 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -92.1 -75.19 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.951 0.405 . . . . 74.24 110.832 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.53 38.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 73.33 111.146 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -57.58 -175.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 75.31 110.94 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.66 -24.26 5.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 63.5 110.875 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.625 HD22 ' HA ' ' A' ' 19' ' ' LYS . 0.4 OUTLIER 69.81 162.36 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 71.24 110.882 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 61.7 m -145.87 144.68 30.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.911 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.46 ' N ' ' H3 ' ' A' ' 1' ' ' SER . 37.7 t -101.63 146.73 27.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 65.31 110.867 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -147.8 127.53 13.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 75.55 110.908 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 72.31 110.917 -179.894 . . . . . . . . 0 0 . 1 stop_ save_