data_2rtz_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 2rtz _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 ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.913 0.387 . . . . 61.32 110.877 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.85 -29.11 18.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 75.42 110.918 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -71.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 75.44 110.881 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -32.96 74.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 75.52 110.935 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -59.17 -36.71 75.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 63.23 110.934 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.14 -38.15 12.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.05 -0.523 . . . . 74.25 110.878 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -56.86 -23.26 43.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 74.43 110.95 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -78.89 -24.35 44.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.829 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.67 3.44 29.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 75.44 110.9 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.48 95.29 2.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 64.45 112.497 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -177.35 139.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.34 . . . . 64.24 111.089 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.14 -34.33 63.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 75.01 110.874 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -157.4 -179.74 8.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 73.52 110.886 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.44 162.5 27.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 63.31 112.482 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.65 179.82 5.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 64.2 110.882 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -89.62 147.77 23.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 74.24 110.872 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.6 tt -134.6 158.76 41.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 74.42 111.134 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -40.41 -61.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.22 110.893 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.5 m -49.94 -42.45 48.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 61.54 110.878 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 173.0 -77.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 62.32 110.913 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.88 165.07 32.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 75.32 110.889 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -163.59 130.24 3.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 75.15 110.88 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.7 m -93.98 -179.38 4.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 73.02 110.879 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -143.27 122.64 13.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 75.11 110.938 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 75.42 110.973 -179.937 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.87 0.367 . . . . 60.21 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.417 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.6 OUTLIER -51.93 -29.21 19.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 54.15 110.864 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -68.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 74.12 110.938 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -67.87 -32.62 73.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 75.44 110.888 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -60.21 -37.23 79.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 75.1 110.901 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -91.24 -39.21 12.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 75.33 110.858 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -58.45 -22.03 53.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 74.4 110.906 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -81.09 -17.66 49.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 63.23 110.872 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -114.33 4.85 15.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.89 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.88 93.47 2.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 62.41 112.501 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -177.77 138.55 0.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.789 0.328 . . . . 74.21 111.135 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -35.71 65.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 71.32 110.885 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.433 ' ND2' ' H ' ' A' ' 18' ' ' GLY . 3.4 t30 -156.06 179.57 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 64.54 110.875 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.433 ' H ' ' ND2' ' A' ' 17' ' ' ASN . . . 177.19 160.87 24.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 74.24 112.518 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.47 179.98 6.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.338 . . . . 75.22 110.885 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.6 m -89.52 148.22 23.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 72.33 110.856 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.0 tt -135.32 158.66 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 72.4 111.181 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -40.49 -61.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 72.15 110.897 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.15 -42.22 50.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 53.14 110.876 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 172.68 -77.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 64.42 110.883 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 1.417 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -148.82 164.66 33.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.896 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -163.08 129.0 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 70.1 110.832 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.4 m -92.87 -178.51 4.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 74.52 110.915 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -144.5 122.39 12.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 73.22 110.945 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 75.23 110.92 -179.921 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.857 0.36 . . . . 73.43 110.852 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -52.04 -28.73 18.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.45 110.865 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 mtm-85 -57.73 -70.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 75.33 110.844 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -67.51 -31.3 71.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.928 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -60.71 -38.16 84.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 75.2 110.934 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -91.44 -37.42 13.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 63.34 110.871 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -56.94 -23.89 48.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 75.11 110.89 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -78.31 -23.32 47.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 73.02 110.857 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.62 4.86 26.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 73.4 110.911 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.01 94.88 2.38 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 70.31 112.52 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.62 139.62 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 72.32 111.115 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -43.96 56.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 75.24 110.836 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -143.8 173.0 12.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 75.34 110.926 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -172.26 148.38 10.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 74.32 112.512 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.46 177.85 10.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.797 0.332 . . . . 74.24 110.883 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -91.4 148.21 22.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 75.2 110.851 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 tt -134.92 158.91 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 75.13 111.132 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -40.56 -61.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 75.4 110.855 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.97 -42.01 47.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 62.25 110.838 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 172.74 -77.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 65.45 110.9 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.1 165.61 31.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 72.42 110.907 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -161.2 131.54 5.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 72.24 110.849 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.3 m -97.81 178.34 5.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 74.2 110.882 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -141.36 117.95 10.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 75.52 110.899 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 74.14 110.952 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.876 0.37 . . . . 73.34 110.867 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.97 -29.08 19.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 72.22 110.911 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -57.39 -70.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 71.4 110.89 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.36 -32.04 72.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 71.43 110.854 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -60.42 -40.46 91.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 60.23 110.94 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -88.35 -37.4 15.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 75.15 110.909 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -56.67 -24.42 48.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.92 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -77.68 -24.25 49.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 65.43 110.878 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.67 4.85 28.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 75.54 110.916 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.67 95.6 2.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 73.33 112.507 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.44 137.64 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 70.43 111.104 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -45.83 61.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 71.3 110.834 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -142.65 171.95 13.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 74.4 110.882 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.74 147.29 10.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.74 . . . . 74.43 112.497 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.86 179.49 8.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 74.41 110.92 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -91.95 148.86 21.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 71.24 110.836 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.0 tt -135.06 158.86 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 74.2 111.139 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -40.31 -61.37 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 73.15 110.873 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.9 t -50.22 -42.44 51.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 63.23 110.833 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 173.14 -77.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 72.3 110.896 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.32 165.74 30.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.912 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -162.35 132.82 4.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 53.12 110.88 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.5 m -97.44 179.58 4.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 62.14 110.86 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -143.34 118.51 10.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 75.44 110.911 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 74.23 110.902 -179.923 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.889 0.376 . . . . 71.1 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.83 -28.04 21.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.23 110.853 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -57.66 -69.52 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 73.05 110.878 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.26 -32.73 72.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 75.53 110.873 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -59.41 -38.38 80.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 75.03 110.926 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -91.52 -38.22 12.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 62.41 110.9 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -57.76 -23.34 51.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 72.22 110.889 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -78.62 -23.62 45.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 65.25 110.847 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.44 2.65 26.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 71.21 110.942 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.62 94.87 2.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 61.14 112.463 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.05 149.89 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 73.15 111.08 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.18 -49.84 11.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 74.54 110.852 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -138.39 172.46 12.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.886 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -167.48 141.7 7.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 70.23 112.489 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.15 175.62 12.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 75.12 110.913 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -90.92 143.71 26.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 71.5 110.899 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.3 tt -131.46 158.75 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 75.44 111.163 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -40.21 -61.49 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 64.02 110.909 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.7 t -50.22 -42.61 51.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 55.42 110.895 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 173.0 -77.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 73.44 110.905 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.89 164.3 34.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 75.12 110.894 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -158.4 135.37 9.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 75.43 110.842 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.4 m -103.39 175.05 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.871 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -136.74 124.54 22.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 71.32 110.914 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 72.44 110.949 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.862 0.363 . . . . 70.22 110.876 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.3 -28.15 17.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 74.31 110.895 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.1 mtm-85 -58.57 -71.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 72.21 110.905 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.62 -29.71 69.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 74.43 110.893 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -61.86 -39.66 92.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 72.33 110.943 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.11 -38.73 13.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 74.43 110.835 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -57.53 -24.08 54.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 75.25 110.935 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -79.1 -20.41 48.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 70.22 110.876 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -112.78 7.43 18.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 74.45 110.923 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.87 94.78 2.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 75.31 112.474 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.87 137.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 71.33 111.131 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.07 -43.24 62.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 65.54 110.925 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -145.55 173.05 12.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 72.44 110.897 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -173.39 150.39 12.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.742 . . . . 74.21 112.492 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.34 177.67 11.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 73.13 110.854 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -90.67 147.84 23.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 52.31 110.843 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.2 tt -134.7 158.55 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 75.21 111.079 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -40.78 -61.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 71.31 110.858 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.02 -42.03 48.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 71.5 110.852 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 172.63 -78.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.865 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.14 163.82 36.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 64.45 110.845 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -159.97 131.11 5.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 74.05 110.908 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.9 m -96.44 179.77 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 70.22 110.899 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -143.1 119.22 10.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 73.51 110.909 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 74.14 110.898 -179.905 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.859 0.362 . . . . 74.33 110.894 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.79 -29.19 18.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 61.34 110.886 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -70.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 73.34 110.873 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -66.87 -33.56 75.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 74.24 110.872 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -59.53 -37.42 78.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 71.22 110.938 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -90.47 -36.37 14.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 70.32 110.861 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -57.47 -22.72 45.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.869 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.46 -22.14 44.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 75.04 110.837 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.5 3.87 23.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 73.43 110.908 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.37 94.33 2.35 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 74.03 112.497 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.15 137.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 71.1 111.079 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -70.74 -45.5 64.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 72.45 110.894 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -142.7 171.91 13.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 64.25 110.865 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.99 148.06 10.55 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 71.43 112.465 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.14 179.13 9.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.823 0.344 . . . . 73.55 110.874 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -91.75 148.61 22.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 74.13 110.943 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 tt -134.66 158.98 41.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 74.42 111.143 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -40.41 -61.49 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 75.25 110.896 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.1 -42.33 50.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 74.04 110.876 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 173.2 -77.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 74.24 110.851 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.42 166.12 29.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 74.43 110.894 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -163.18 132.03 3.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 73.32 110.855 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.5 m -96.24 179.97 4.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 74.15 110.865 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -143.9 118.39 9.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 73.43 110.923 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 75.13 110.921 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.871 0.367 . . . . 73.22 110.881 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.432 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.8 OUTLIER -51.71 -29.24 17.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 71.11 110.902 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.81 -70.01 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 74.02 110.917 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.5 -33.03 74.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.936 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -59.55 -36.75 76.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 75.54 110.931 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.08 -37.52 12.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 73.22 110.91 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -57.0 -23.41 45.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 73.22 110.945 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.9 -23.49 44.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 71.12 110.885 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.99 4.02 26.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 74.55 110.885 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.51 94.83 2.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 71.33 112.485 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.66 138.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.754 0.311 . . . . 74.41 111.093 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -72.75 -40.32 66.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 74.45 110.839 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -148.8 175.53 11.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.864 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -177.51 150.37 10.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.741 -0.742 . . . . 62.32 112.49 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.17 179.3 9.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.832 0.349 . . . . 74.52 110.944 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -91.39 146.92 23.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 71.52 110.882 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.5 tt -133.46 160.14 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 75.25 111.139 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -40.91 -61.71 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 45.23 110.881 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -50.0 -41.59 47.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 75.01 110.857 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 172.19 -77.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 64.45 110.873 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 1.432 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -149.15 167.33 26.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 73.05 110.894 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -164.19 128.92 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 73.42 110.829 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 13.0 m -92.75 -178.8 4.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 70.35 110.87 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -145.08 119.83 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 74.24 110.931 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 70.3 110.91 -179.893 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.877 0.37 . . . . 74.42 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.43 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER -52.72 -27.78 19.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 64.01 110.897 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -63.91 1.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.874 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.71 -34.97 72.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 70.11 110.892 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -60.21 -43.05 96.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 70.03 110.912 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -84.65 -37.29 21.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 74.42 110.911 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -52.98 -33.94 53.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 72.35 110.877 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -66.46 -50.49 63.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 63.01 110.862 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -8.15 54.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 74.2 110.883 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.78 98.3 2.21 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.671 -0.776 . . . . 65.45 112.462 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -179.18 139.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.75 0.309 . . . . 65.14 111.131 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.55 -36.92 71.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 73.43 110.853 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.418 ' ND2' ' H ' ' A' ' 18' ' ' GLY . 3.8 t30 -153.14 178.51 9.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 71.22 110.861 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.418 ' H ' ' ND2' ' A' ' 17' ' ' ASN . . . 177.49 161.94 26.8 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 62.12 112.487 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.36 179.72 6.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 74.43 110.916 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.5 m -90.45 146.82 23.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 71.03 110.886 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.6 tt -133.81 159.99 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 73.24 111.122 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -40.87 -61.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 75.42 110.896 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.8 m -49.74 -41.82 44.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 60.3 110.878 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 172.42 -77.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 70.11 110.902 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 1.43 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -149.13 166.53 28.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 64.01 110.886 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -164.49 128.32 2.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.863 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.4 m -91.37 -178.1 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 75.5 110.902 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -145.67 122.24 11.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 72.34 110.916 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 72.22 110.967 -179.922 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.918 0.39 . . . . 72.13 110.868 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.49 -28.21 19.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.886 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -57.93 -70.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 73.33 110.883 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -67.78 -31.4 71.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 74.4 110.854 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -60.25 -39.09 85.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 74.51 110.943 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -90.88 -39.0 12.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 71.02 110.895 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -57.85 -23.34 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 72.44 110.907 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -79.74 -19.54 48.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 73.5 110.863 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -112.96 5.8 17.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 70.52 110.902 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.63 94.7 2.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.737 . . . . 75.51 112.481 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.65 138.24 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.762 0.315 . . . . 72.34 111.118 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.47 -39.65 64.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 73.34 110.873 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -150.32 175.32 11.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 63.4 110.855 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.65 151.21 11.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 75.4 112.483 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.96 178.47 10.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 73.23 110.933 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -90.6 146.98 23.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 65.1 110.874 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.2 tt -133.99 158.39 42.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 75.54 111.074 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -40.56 -61.39 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 73.14 110.88 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.01 -42.31 48.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 74.4 110.833 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 172.94 -78.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 73.41 110.903 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.09 163.93 36.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 64.51 110.887 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -160.31 129.6 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.85 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.6 m -94.43 -179.58 4.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 70.31 110.905 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -143.88 120.68 11.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 63.11 110.891 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 75.44 110.905 -179.928 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.833 0.349 . . . . 75.54 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -51.98 -28.71 17.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 74.14 110.869 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.78 -71.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.3 110.875 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.48 -32.98 74.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.52 110.914 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -59.19 -38.46 79.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 73.34 110.89 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -90.31 -38.11 13.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 75.44 110.877 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -57.73 -23.58 52.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 64.53 110.93 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -79.6 -20.1 47.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 74.34 110.854 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.86 6.74 18.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.844 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.02 94.84 2.36 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 63.22 112.511 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.61 135.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 54.12 111.095 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.2 -46.25 64.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.927 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -142.67 171.24 14.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 73.25 110.914 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -170.79 151.4 15.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 61.43 112.482 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.96 177.96 10.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.767 0.317 . . . . 73.42 110.926 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -91.8 148.2 22.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.9 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.6 tt -134.01 160.11 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 73.13 111.102 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.85 -61.6 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 63.3 110.907 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.03 -41.81 48.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 53.4 110.858 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 172.59 -77.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 42.53 110.861 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.68 167.55 25.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 72.45 110.897 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -164.81 132.14 3.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 75.32 110.9 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 15.4 m -96.25 -179.69 4.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 60.52 110.905 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -144.15 118.54 9.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 72.21 110.952 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 74.52 110.943 -179.914 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.861 0.362 . . . . 54.42 110.908 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.416 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER -50.92 -30.69 15.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 71.31 110.858 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.14 -70.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 74.45 110.862 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -32.84 74.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 71.35 110.92 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -60.16 -34.88 74.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.929 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.56 -34.58 13.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 73.31 110.899 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -62.39 -23.51 66.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 73.03 110.932 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -81.88 -12.33 58.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 73.04 110.911 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -120.68 5.83 10.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 72.35 110.906 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.12 91.82 2.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 43.24 112.481 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.61 139.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 73.44 111.072 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.09 -48.23 31.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 73.23 110.868 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -140.08 170.74 15.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 72.41 110.864 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.08 147.24 10.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 74.32 112.486 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.17 176.17 12.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 64.45 110.918 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -90.65 145.81 24.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 70.23 110.884 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.4 tt -133.07 158.37 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.11 111.127 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -40.53 -61.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 72.24 110.858 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.96 -42.4 48.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 74.32 110.866 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 173.01 -78.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 72.22 110.908 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 1.416 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -149.16 163.34 37.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 73.21 110.863 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -158.53 133.36 8.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 75.51 110.864 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.8 m -99.79 177.7 5.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 73.32 110.885 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -140.77 118.16 11.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 72.24 110.959 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 72.22 110.954 -179.905 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.87 0.367 . . . . 74.12 110.915 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.419 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.8 OUTLIER -51.3 -30.27 17.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 63.03 110.89 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.49 -69.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 75.13 110.877 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -67.4 -32.96 74.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 75.34 110.913 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -59.87 -35.73 75.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 75.34 110.906 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.11 -35.22 13.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 71.42 110.881 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -62.87 -23.1 67.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 73.12 110.903 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.32 -11.72 58.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 71.23 110.857 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -120.76 4.46 10.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 74.03 110.872 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.03 91.24 2.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 75.33 112.465 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.63 143.86 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.755 0.312 . . . . 54.41 111.122 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -76.99 -50.07 13.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.24 110.9 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -138.01 170.54 15.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.919 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -167.89 145.37 9.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.733 . . . . 75.32 112.517 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.27 175.8 12.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 73.54 110.883 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.56 144.84 25.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 72.21 110.892 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.6 tt -132.49 158.3 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 74.21 111.128 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -40.42 -61.38 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 72.53 110.876 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -50.1 -42.53 50.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 72.51 110.854 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 172.96 -78.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 73.11 110.935 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 1.419 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -149.08 162.92 38.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 71.14 110.91 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -157.63 134.65 10.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.828 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 17.6 m -101.89 176.26 5.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 75.15 110.94 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -138.95 118.04 12.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.917 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 75.34 110.94 -179.909 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.823 0.344 . . . . 75.31 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.417 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.8 OUTLIER -50.86 -30.81 15.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 62.14 110.906 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.27 -69.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 73.2 110.905 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.47 -32.57 74.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 74.34 110.914 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -60.43 -34.99 74.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 74.04 110.929 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.61 -34.12 13.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 75.11 110.935 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -63.0 -23.47 67.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 72.43 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.21 -11.75 58.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 73.22 110.868 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -121.02 5.39 10.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 74.44 110.942 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.75 91.47 2.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 74.31 112.485 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.52 140.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.32 . . . . 72.04 111.126 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.71 -48.8 23.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 74.41 110.843 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -139.38 170.68 15.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 73.51 110.904 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.92 146.9 10.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.708 -0.758 . . . . 72.14 112.488 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.01 176.04 12.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 64.42 110.902 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -90.55 145.63 24.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 54.43 110.893 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.4 tt -132.97 158.35 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 75.14 111.137 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -40.53 -61.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 72.24 110.903 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.95 -42.39 48.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 74.21 110.837 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 173.0 -78.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 70.21 110.861 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 1.417 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -149.28 163.27 38.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 51.43 110.895 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -158.35 133.63 8.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 74.42 110.852 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 17.7 m -100.31 177.28 5.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.914 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -140.25 118.04 11.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 75.2 110.91 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 73.33 110.889 -179.902 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.86 0.362 . . . . 73.45 110.872 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.233 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER -51.38 -29.88 17.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.897 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.96 -69.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.52 110.84 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -66.54 -35.33 79.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 75.22 110.882 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -58.23 -33.33 69.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 72.4 110.925 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -94.79 -34.09 12.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 55.24 110.835 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -65.37 -20.21 66.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.885 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.13 -10.32 56.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.31 110.905 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -118.85 -1.65 11.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.35 110.901 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.18 89.08 1.59 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 63.44 112.485 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.36 145.31 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 73.01 111.068 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.4 mtt-85 -77.29 -44.84 28.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 75.53 110.869 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.429 ' ND2' ' H ' ' A' ' 18' ' ' GLY . 3.5 t30 -145.56 178.81 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 72.3 110.858 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.429 ' H ' ' ND2' ' A' ' 17' ' ' ASN . . . 176.87 151.53 9.08 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 63.05 112.476 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.66 -178.89 6.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.352 . . . . 74.02 110.904 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.7 m -90.78 143.26 26.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 73.43 110.837 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.7 tt -132.33 157.94 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 74.32 111.148 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -40.54 -61.18 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.882 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 t -50.05 -42.63 50.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 63.5 110.865 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 172.75 -78.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 73.04 110.923 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 1.233 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -148.53 163.15 38.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 71.03 110.889 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -157.56 129.97 7.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 72.04 110.84 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.2 m -96.36 178.22 5.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 72.03 110.867 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -140.88 121.05 13.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 75.4 110.955 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 74.45 110.899 -179.863 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.871 0.367 . . . . 73.34 110.874 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.458 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 1.0 OUTLIER -51.53 -29.93 18.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 72.41 110.865 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.475 ' NE ' HE22 ' A' ' 11' ' ' GLN . 0.0 OUTLIER -55.91 -70.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 74.52 110.88 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -34.15 76.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.35 110.871 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -58.24 -36.31 73.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 75.13 110.935 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -92.09 -40.13 11.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 74.04 110.883 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.475 HE22 ' NE ' ' A' ' 7' ' ' ARG . 26.0 mt-30 -55.64 -29.99 60.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 64.12 110.904 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.85 -25.16 62.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.873 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.22 5.64 25.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.34 110.878 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.61 100.8 2.66 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.772 -0.727 . . . . 63.22 112.493 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 177.65 143.38 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 65.31 111.117 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -42.01 61.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.877 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -150.58 174.62 12.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 74.21 110.887 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.27 143.5 8.18 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.778 -0.725 . . . . 72.45 112.505 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.01 176.11 12.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.329 . . . . 73.14 110.887 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.77 142.96 27.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 72.04 110.892 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.5 tt -131.04 158.38 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 75.54 111.163 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -40.23 -61.56 0.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.865 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.07 -42.74 50.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 60.43 110.834 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 172.9 -78.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 73.21 110.932 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 1.458 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -148.78 163.62 36.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 65.13 110.846 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -158.11 135.85 10.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.882 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 30.3 m -102.57 175.63 5.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 73.12 110.898 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -138.57 134.24 33.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.94 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.494 . . . . 74.23 110.947 -179.92 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.869 0.366 . . . . 51.33 110.907 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.093 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 1.3 m -52.43 -27.98 18.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 75.23 110.899 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.456 ' NE ' HE22 ' A' ' 11' ' ' GLN . 0.2 OUTLIER -58.13 -62.14 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 75.23 110.905 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.66 -34.75 67.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 75.05 110.883 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -60.07 -35.19 74.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 71.43 110.913 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -93.11 -29.23 15.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 75.53 110.852 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.456 HE22 ' NE ' ' A' ' 7' ' ' ARG . 24.1 mt-30 -69.88 -23.09 63.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 75.14 110.912 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.14 -7.66 59.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.858 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -120.88 -7.58 9.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.858 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 118.15 90.53 1.41 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.793 -0.718 . . . . 74.03 112.543 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.33 143.53 0.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.82 0.343 . . . . 73.41 111.109 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -51.69 21.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 72.22 110.862 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -139.56 170.11 16.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 73.44 110.867 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -166.72 145.65 10.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 73.21 112.486 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.86 174.81 13.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 65.03 110.871 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 m -90.15 142.87 27.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 73.33 110.889 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.7 tt -130.95 158.0 43.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 73.22 111.149 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -40.59 -61.22 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 74.13 110.873 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.02 -42.49 49.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 65.21 110.907 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 172.77 -78.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 63.3 110.914 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 1.093 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -148.89 162.05 40.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 61.24 110.87 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -156.84 135.32 11.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 75.43 110.871 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.0 m -103.68 175.13 5.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 53.35 110.829 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -137.62 119.3 15.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 74.5 110.931 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 72.51 110.943 -179.931 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.898 0.38 . . . . 74.42 110.83 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.237 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER -50.54 -28.24 8.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 65.02 110.926 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -65.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 72.5 110.852 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.91 -39.04 92.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 72.23 110.921 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -59.13 -52.47 65.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 64.13 110.952 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.1 t -74.36 -22.99 58.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 73.24 110.856 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -67.58 -31.48 71.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 73.44 110.868 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.21 -49.04 54.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 71.2 110.902 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -71.7 -14.42 62.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 75.24 110.861 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.91 96.23 1.49 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 74.13 112.449 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.31 139.06 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 73.14 111.064 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -70.62 -41.41 72.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 73.33 110.833 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -148.99 177.09 9.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 74.13 110.858 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 175.55 157.31 16.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 73.22 112.452 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.72 178.56 10.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.893 0.377 . . . . 72.55 110.874 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -88.93 144.12 26.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 75.14 110.864 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.9 tt -131.37 158.35 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 72.14 111.149 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -40.93 -61.81 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 72.22 110.916 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.51 -41.68 41.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 62.32 110.875 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 172.87 -78.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 74.33 110.848 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 1.237 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -150.12 162.58 40.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 73.42 110.921 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -159.04 128.22 5.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 72.32 110.842 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.6 m -94.12 -179.67 5.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 72.41 110.882 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -143.43 121.04 11.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 73.02 110.955 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.901 -179.881 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.854 0.359 . . . . 73.55 110.924 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.96 -26.66 26.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.01 110.909 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.63 -67.77 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 74.42 110.887 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.52 -35.18 75.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 72.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -58.89 -45.07 91.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 75.02 110.893 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.1 t -83.09 -34.18 26.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 65.35 110.839 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -62.35 -22.71 66.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 72.33 110.909 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -79.22 -20.97 46.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 71.2 110.908 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.54 -1.67 21.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 75.22 110.875 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 112.1 94.12 2.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 64.34 112.445 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -170.78 149.99 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 64.13 111.109 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.35 -47.96 10.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 73.44 110.894 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -152.31 124.83 8.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 61.45 110.856 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.6 156.7 17.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 72.31 112.519 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.4 -174.34 4.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.898 0.38 . . . . 72.35 110.868 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -97.55 150.4 21.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 63.22 110.861 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.2 tt -134.08 158.74 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 64.44 111.134 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -41.13 -61.57 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 72.2 110.864 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m -49.54 -41.17 40.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.842 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 173.48 -79.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 64.31 110.89 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -147.23 170.28 17.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 63.13 110.858 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.79 154.53 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.821 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.1 m -123.1 169.23 11.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 75.14 110.875 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -136.74 120.27 17.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 65.21 110.921 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.498 . . . . 75.15 110.91 -179.906 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.859 0.361 . . . . 74.54 110.903 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.95 -26.64 26.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 52.52 110.919 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.55 -67.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.917 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 tptt -69.49 -35.26 75.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.93 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -58.79 -44.86 90.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 74.53 110.909 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.1 t -83.37 -34.26 25.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 62.24 110.886 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -62.35 -22.65 66.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 73.03 110.935 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.22 -21.04 46.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 72.41 110.849 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.59 -1.68 21.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.881 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 112.21 94.1 2.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 64.32 112.46 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -170.85 149.94 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.32 . . . . 72.12 111.138 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -84.27 -47.97 10.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 74.33 110.896 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -152.33 124.75 8.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 71.14 110.897 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.58 156.73 17.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.777 -0.725 . . . . 72.34 112.532 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.42 -174.33 4.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 71.23 110.904 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.4 m -97.59 150.42 21.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.51 110.911 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.2 tt -134.14 158.76 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 75.5 111.106 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -41.08 -61.61 0.97 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 74.04 110.915 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.51 -41.17 40.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 71.11 110.86 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 173.45 -78.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 64.34 110.891 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -147.25 170.27 17.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 71.14 110.859 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.82 154.53 7.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 65.4 110.859 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.2 m -123.12 169.18 11.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.893 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -136.7 120.32 17.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 73.41 110.947 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 73.23 110.907 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.799 0.333 . . . . 74.41 111.116 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.335 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 29.7 m -111.86 152.67 27.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.858 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.1 m -118.11 -40.94 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 64.51 111.151 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -142.35 38.97 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 71.22 110.843 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 65.68 116.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 61.32 110.877 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.85 -29.11 18.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 75.42 110.918 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -71.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 75.44 110.881 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -32.96 74.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 75.52 110.935 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -59.17 -36.71 75.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 63.23 110.934 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.14 -38.15 12.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.05 -0.523 . . . . 74.25 110.878 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -56.86 -23.26 43.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 74.43 110.95 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -78.89 -24.35 44.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.829 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.67 3.44 29.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 75.44 110.9 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.48 95.29 2.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 64.45 112.497 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -177.35 139.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.34 . . . . 64.24 111.089 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.14 -34.33 63.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 75.01 110.874 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -157.4 -179.74 8.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 73.52 110.886 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.44 162.5 27.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 63.31 112.482 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.65 179.82 5.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 64.2 110.882 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.335 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.3 m -89.62 147.77 23.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 74.24 110.872 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.6 tt -134.6 158.76 41.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 74.42 111.134 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -40.41 -61.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.22 110.893 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.5 m -49.94 -42.45 48.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 61.54 110.878 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 173.0 -77.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 62.32 110.913 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.88 165.07 32.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 75.32 110.889 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -163.59 130.24 3.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 75.15 110.88 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.7 m -93.98 -179.38 4.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 73.02 110.879 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -143.27 122.64 13.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 75.11 110.938 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 75.42 110.973 -179.937 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.833 0.349 . . . . 72.15 111.107 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.332 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 82.6 m -105.26 145.92 30.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 64.14 110.886 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.1 m -118.14 -37.87 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 75.2 111.129 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -146.31 38.88 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 65.44 110.866 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 65.71 116.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 60.21 110.847 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.417 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.6 OUTLIER -51.93 -29.21 19.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 54.15 110.864 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -68.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 74.12 110.938 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -67.87 -32.62 73.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 75.44 110.888 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -60.21 -37.23 79.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 75.1 110.901 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -91.24 -39.21 12.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 75.33 110.858 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -58.45 -22.03 53.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 74.4 110.906 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -81.09 -17.66 49.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 63.23 110.872 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -114.33 4.85 15.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.89 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.88 93.47 2.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 62.41 112.501 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -177.77 138.55 0.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.789 0.328 . . . . 74.21 111.135 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -35.71 65.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 71.32 110.885 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.433 ' ND2' ' H ' ' A' ' 18' ' ' GLY . 3.4 t30 -156.06 179.57 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 64.54 110.875 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.433 ' H ' ' ND2' ' A' ' 17' ' ' ASN . . . 177.19 160.87 24.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 74.24 112.518 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.47 179.98 6.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.338 . . . . 75.22 110.885 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.332 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.6 m -89.52 148.22 23.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 72.33 110.856 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.0 tt -135.32 158.66 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 72.4 111.181 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -40.49 -61.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 72.15 110.897 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.15 -42.22 50.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 53.14 110.876 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 172.68 -77.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 64.42 110.883 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 1.417 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -148.82 164.66 33.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.896 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -163.08 129.0 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 70.1 110.832 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.4 m -92.87 -178.51 4.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 74.52 110.915 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -144.5 122.39 12.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 73.22 110.945 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 75.23 110.92 -179.921 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.824 0.345 . . . . 72.04 111.13 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 50.6 m -68.3 129.95 41.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 72.13 110.871 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 m -118.16 -41.09 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 64.11 111.129 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -140.4 40.02 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 73.34 110.858 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 65.89 117.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.852 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -52.04 -28.73 18.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.45 110.865 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 mtm-85 -57.73 -70.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 75.33 110.844 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -67.51 -31.3 71.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.928 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -60.71 -38.16 84.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 75.2 110.934 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -91.44 -37.42 13.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 63.34 110.871 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -56.94 -23.89 48.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 75.11 110.89 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -78.31 -23.32 47.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 73.02 110.857 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.62 4.86 26.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 73.4 110.911 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.01 94.88 2.38 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 70.31 112.52 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.62 139.62 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 72.32 111.115 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -43.96 56.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 75.24 110.836 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -143.8 173.0 12.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 75.34 110.926 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -172.26 148.38 10.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 74.32 112.512 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.46 177.85 10.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.797 0.332 . . . . 74.24 110.883 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.1 m -91.4 148.21 22.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 75.2 110.851 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 tt -134.92 158.91 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 75.13 111.132 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -40.56 -61.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 75.4 110.855 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.97 -42.01 47.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 62.25 110.838 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 172.74 -77.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 65.45 110.9 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.1 165.61 31.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 72.42 110.907 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -161.2 131.54 5.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 72.24 110.849 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.3 m -97.81 178.34 5.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 74.2 110.882 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -141.36 117.95 10.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 75.52 110.899 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 74.14 110.952 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.87 0.367 . . . . 73.11 111.103 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.292 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 30.9 m -86.73 128.13 35.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 73.42 110.88 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.2 m -119.18 -40.87 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 72.44 111.151 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -141.16 39.62 1.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 72.01 110.879 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 65.84 117.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 73.34 110.867 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.97 -29.08 19.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 72.22 110.911 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -57.39 -70.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 71.4 110.89 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.36 -32.04 72.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 71.43 110.854 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -60.42 -40.46 91.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 60.23 110.94 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -88.35 -37.4 15.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 75.15 110.909 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -56.67 -24.42 48.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.92 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -77.68 -24.25 49.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 65.43 110.878 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.67 4.85 28.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 75.54 110.916 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.67 95.6 2.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 73.33 112.507 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.44 137.64 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 70.43 111.104 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -45.83 61.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 71.3 110.834 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -142.65 171.95 13.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 74.4 110.882 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.74 147.29 10.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.74 . . . . 74.43 112.497 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.86 179.49 8.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 74.41 110.92 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.292 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 0.9 OUTLIER -91.95 148.86 21.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 71.24 110.836 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.0 tt -135.06 158.86 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 74.2 111.139 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -40.31 -61.37 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 73.15 110.873 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.9 t -50.22 -42.44 51.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 63.23 110.833 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 173.14 -77.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 72.3 110.896 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.32 165.74 30.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.912 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -162.35 132.82 4.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 53.12 110.88 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.5 m -97.44 179.58 4.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 62.14 110.86 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -143.34 118.51 10.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 75.44 110.911 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 74.23 110.902 -179.923 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.854 0.359 . . . . 61.51 111.094 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.38 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 58.5 m -52.48 132.51 35.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 51.12 110.896 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.9 m -119.67 -40.19 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 71.42 111.14 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -139.99 41.05 1.97 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 65.2 110.882 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 65.77 117.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 71.1 110.887 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.83 -28.04 21.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.23 110.853 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -57.66 -69.52 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 73.05 110.878 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.26 -32.73 72.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 75.53 110.873 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -59.41 -38.38 80.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 75.03 110.926 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -91.52 -38.22 12.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 62.41 110.9 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -57.76 -23.34 51.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 72.22 110.889 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -78.62 -23.62 45.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 65.25 110.847 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.44 2.65 26.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 71.21 110.942 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.62 94.87 2.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 61.14 112.463 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.05 149.89 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 73.15 111.08 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.18 -49.84 11.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 74.54 110.852 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -138.39 172.46 12.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.886 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -167.48 141.7 7.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 70.23 112.489 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.15 175.62 12.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 75.12 110.913 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.38 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 0.6 OUTLIER -90.92 143.71 26.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 71.5 110.899 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.3 tt -131.46 158.75 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 75.44 111.163 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -40.21 -61.49 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 64.02 110.909 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.7 t -50.22 -42.61 51.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 55.42 110.895 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 173.0 -77.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 73.44 110.905 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.89 164.3 34.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 75.12 110.894 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -158.4 135.37 9.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 75.43 110.842 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.4 m -103.39 175.05 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.871 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -136.74 124.54 22.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 71.32 110.914 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 72.44 110.949 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.828 0.347 . . . . 72.25 111.102 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.286 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 31.7 m -71.09 127.28 32.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 53.05 110.877 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.8 m -117.91 -41.05 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 72.33 111.179 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -140.57 40.34 1.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 75.4 110.916 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 66.16 119.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 70.22 110.876 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.3 -28.15 17.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 74.31 110.895 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.1 mtm-85 -58.57 -71.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 72.21 110.905 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.62 -29.71 69.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 74.43 110.893 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -61.86 -39.66 92.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 72.33 110.943 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.11 -38.73 13.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 74.43 110.835 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -57.53 -24.08 54.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 75.25 110.935 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -79.1 -20.41 48.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 70.22 110.876 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -112.78 7.43 18.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 74.45 110.923 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.87 94.78 2.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 75.31 112.474 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.87 137.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 71.33 111.131 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.07 -43.24 62.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 65.54 110.925 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -145.55 173.05 12.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 72.44 110.897 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -173.39 150.39 12.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.742 . . . . 74.21 112.492 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.34 177.67 11.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 73.13 110.854 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.286 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.1 m -90.67 147.84 23.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 52.31 110.843 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.2 tt -134.7 158.55 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 75.21 111.079 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -40.78 -61.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 71.31 110.858 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.02 -42.03 48.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 71.5 110.852 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 172.63 -78.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.865 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.14 163.82 36.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 64.45 110.845 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -159.97 131.11 5.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 74.05 110.908 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.9 m -96.44 179.77 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 70.22 110.899 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -143.1 119.22 10.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 73.51 110.909 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 74.14 110.898 -179.905 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.832 0.349 . . . . 72.42 111.041 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.398 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 19.2 m -90.14 110.72 21.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 71.41 110.902 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.0 m -83.07 -35.01 11.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 74.42 111.152 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -146.88 40.01 1.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.887 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 65.75 116.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 74.33 110.894 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.79 -29.19 18.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 61.34 110.886 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -70.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 73.34 110.873 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -66.87 -33.56 75.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 74.24 110.872 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -59.53 -37.42 78.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 71.22 110.938 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -90.47 -36.37 14.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 70.32 110.861 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -57.47 -22.72 45.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.869 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.46 -22.14 44.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 75.04 110.837 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.5 3.87 23.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 73.43 110.908 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.37 94.33 2.35 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 74.03 112.497 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.15 137.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 71.1 111.079 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -70.74 -45.5 64.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 72.45 110.894 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -142.7 171.91 13.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 64.25 110.865 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.99 148.06 10.55 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 71.43 112.465 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.14 179.13 9.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.823 0.344 . . . . 73.55 110.874 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.398 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.3 m -91.75 148.61 22.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 74.13 110.943 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 tt -134.66 158.98 41.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 74.42 111.143 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -40.41 -61.49 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 75.25 110.896 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.1 -42.33 50.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 74.04 110.876 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 173.2 -77.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 74.24 110.851 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.42 166.12 29.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 74.43 110.894 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -163.18 132.03 3.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 73.32 110.855 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.5 m -96.24 179.97 4.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 74.15 110.865 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -143.9 118.39 9.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 73.43 110.923 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 75.13 110.921 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.8 0.333 . . . . 75.24 111.116 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.396 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 20.3 m -71.94 135.19 46.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 74.03 110.875 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 m -100.74 -33.53 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 74.21 111.139 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -149.09 38.86 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 73.11 110.9 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 65.65 115.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 73.22 110.881 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.432 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.8 OUTLIER -51.71 -29.24 17.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 71.11 110.902 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.81 -70.01 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 74.02 110.917 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.5 -33.03 74.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.936 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -59.55 -36.75 76.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 75.54 110.931 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.08 -37.52 12.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 73.22 110.91 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -57.0 -23.41 45.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 73.22 110.945 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.9 -23.49 44.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 71.12 110.885 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.99 4.02 26.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 74.55 110.885 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.51 94.83 2.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 71.33 112.485 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.66 138.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.754 0.311 . . . . 74.41 111.093 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -72.75 -40.32 66.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 74.45 110.839 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -148.8 175.53 11.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.864 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -177.51 150.37 10.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.741 -0.742 . . . . 62.32 112.49 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.17 179.3 9.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.832 0.349 . . . . 74.52 110.944 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.396 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.3 m -91.39 146.92 23.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 71.52 110.882 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.5 tt -133.46 160.14 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 75.25 111.139 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -40.91 -61.71 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 45.23 110.881 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -50.0 -41.59 47.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 75.01 110.857 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 172.19 -77.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 64.45 110.873 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 1.432 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -149.15 167.33 26.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 73.05 110.894 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -164.19 128.92 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 73.42 110.829 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 13.0 m -92.75 -178.8 4.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 70.35 110.87 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -145.08 119.83 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 74.24 110.931 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 70.3 110.91 -179.893 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.822 0.344 . . . . 72.35 111.093 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.41 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 36.3 m -97.52 -69.8 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 74.45 110.898 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.7 m -152.05 -41.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 75.12 111.137 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -166.95 35.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 63.33 110.842 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 65.39 114.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.89 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.43 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER -52.72 -27.78 19.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 64.01 110.897 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -63.91 1.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.874 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.71 -34.97 72.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 70.11 110.892 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -60.21 -43.05 96.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 70.03 110.912 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -84.65 -37.29 21.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 74.42 110.911 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -52.98 -33.94 53.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 72.35 110.877 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -66.46 -50.49 63.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 63.01 110.862 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -8.15 54.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 74.2 110.883 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.78 98.3 2.21 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.671 -0.776 . . . . 65.45 112.462 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -179.18 139.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.75 0.309 . . . . 65.14 111.131 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.55 -36.92 71.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 73.43 110.853 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.418 ' ND2' ' H ' ' A' ' 18' ' ' GLY . 3.8 t30 -153.14 178.51 9.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 71.22 110.861 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.418 ' H ' ' ND2' ' A' ' 17' ' ' ASN . . . 177.49 161.94 26.8 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 62.12 112.487 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.36 179.72 6.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 74.43 110.916 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.41 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 2.5 m -90.45 146.82 23.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 71.03 110.886 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.6 tt -133.81 159.99 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 73.24 111.122 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -40.87 -61.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 75.42 110.896 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.8 m -49.74 -41.82 44.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 60.3 110.878 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 172.42 -77.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 70.11 110.902 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 1.43 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -149.13 166.53 28.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 64.01 110.886 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -164.49 128.32 2.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.863 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.4 m -91.37 -178.1 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 75.5 110.902 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -145.67 122.24 11.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 72.34 110.916 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 72.22 110.967 -179.922 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.814 0.34 . . . . 71.35 111.107 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.329 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 22.2 m -139.05 153.55 48.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 71.2 110.883 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.7 m -116.03 -39.62 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 74.44 111.142 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -143.15 39.18 1.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 72.14 110.876 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 65.85 117.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.868 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.49 -28.21 19.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.886 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -57.93 -70.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 73.33 110.883 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -67.78 -31.4 71.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 74.4 110.854 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -60.25 -39.09 85.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 74.51 110.943 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -90.88 -39.0 12.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 71.02 110.895 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -57.85 -23.34 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 72.44 110.907 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -79.74 -19.54 48.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 73.5 110.863 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -112.96 5.8 17.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 70.52 110.902 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.63 94.7 2.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.737 . . . . 75.51 112.481 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.65 138.24 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.762 0.315 . . . . 72.34 111.118 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.47 -39.65 64.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 73.34 110.873 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -150.32 175.32 11.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 63.4 110.855 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.65 151.21 11.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 75.4 112.483 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.96 178.47 10.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 73.23 110.933 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.329 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.2 m -90.6 146.98 23.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 65.1 110.874 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.2 tt -133.99 158.39 42.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 75.54 111.074 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -40.56 -61.39 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 73.14 110.88 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.01 -42.31 48.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 74.4 110.833 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 172.94 -78.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 73.41 110.903 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.09 163.93 36.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 64.51 110.887 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -160.31 129.6 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.85 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.6 m -94.43 -179.58 4.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 70.31 110.905 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -143.88 120.68 11.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 63.11 110.891 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 75.44 110.905 -179.928 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.832 0.349 . . . . 42.54 111.081 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.378 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 35.9 m -60.82 125.73 24.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 75.13 110.894 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.5 m -97.16 -33.58 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 75.11 111.13 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -149.62 39.47 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 72.42 110.921 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 65.82 116.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 75.54 110.894 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -51.98 -28.71 17.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 74.14 110.869 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.78 -71.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.3 110.875 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.48 -32.98 74.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.52 110.914 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -59.19 -38.46 79.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 73.34 110.89 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -90.31 -38.11 13.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 75.44 110.877 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -57.73 -23.58 52.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 64.53 110.93 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -79.6 -20.1 47.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 74.34 110.854 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.86 6.74 18.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.844 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.02 94.84 2.36 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 63.22 112.511 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.61 135.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 54.12 111.095 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.2 -46.25 64.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.927 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -142.67 171.24 14.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 73.25 110.914 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -170.79 151.4 15.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 61.43 112.482 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.96 177.96 10.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.767 0.317 . . . . 73.42 110.926 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.378 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.3 m -91.8 148.2 22.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.9 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.6 tt -134.01 160.11 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 73.13 111.102 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.85 -61.6 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 63.3 110.907 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.03 -41.81 48.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 53.4 110.858 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 172.59 -77.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 42.53 110.861 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.68 167.55 25.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 72.45 110.897 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -164.81 132.14 3.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 75.32 110.9 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 15.4 m -96.25 -179.69 4.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 60.52 110.905 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -144.15 118.54 9.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 72.21 110.952 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 74.52 110.943 -179.914 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.808 0.337 . . . . 65.53 111.109 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.295 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 19.7 m -82.32 133.33 35.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 74.55 110.925 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.1 m -122.21 -35.38 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 75.45 111.146 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -146.76 39.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.895 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 65.7 116.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 54.42 110.908 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.416 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER -50.92 -30.69 15.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 71.31 110.858 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.14 -70.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 74.45 110.862 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -32.84 74.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 71.35 110.92 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -60.16 -34.88 74.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.22 110.929 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.56 -34.58 13.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 73.31 110.899 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -62.39 -23.51 66.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 73.03 110.932 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -81.88 -12.33 58.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 73.04 110.911 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -120.68 5.83 10.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 72.35 110.906 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.12 91.82 2.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 43.24 112.481 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.61 139.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 73.44 111.072 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.09 -48.23 31.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 73.23 110.868 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -140.08 170.74 15.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 72.41 110.864 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.08 147.24 10.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 74.32 112.486 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.17 176.17 12.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 64.45 110.918 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.295 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.2 m -90.65 145.81 24.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 70.23 110.884 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.4 tt -133.07 158.37 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.11 111.127 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -40.53 -61.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 72.24 110.858 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.96 -42.4 48.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 74.32 110.866 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 173.01 -78.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 72.22 110.908 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 1.416 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -149.16 163.34 37.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 73.21 110.863 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -158.53 133.36 8.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 75.51 110.864 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.8 m -99.79 177.7 5.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 73.32 110.885 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -140.77 118.16 11.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 72.24 110.959 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 72.22 110.954 -179.905 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.845 0.355 . . . . 63.35 111.085 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.294 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 20.7 m -70.65 130.51 41.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 75.24 110.841 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.0 m -117.96 -41.06 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 75.12 111.113 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -140.55 40.52 1.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 71.43 110.91 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 65.68 116.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 74.12 110.915 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.419 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.8 OUTLIER -51.3 -30.27 17.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 63.03 110.89 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.49 -69.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 75.13 110.877 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -67.4 -32.96 74.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 75.34 110.913 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -59.87 -35.73 75.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 75.34 110.906 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.11 -35.22 13.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 71.42 110.881 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -62.87 -23.1 67.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 73.12 110.903 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.32 -11.72 58.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 71.23 110.857 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -120.76 4.46 10.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 74.03 110.872 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.03 91.24 2.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 75.33 112.465 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.63 143.86 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.755 0.312 . . . . 54.41 111.122 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -76.99 -50.07 13.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.24 110.9 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -138.01 170.54 15.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.919 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -167.89 145.37 9.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.733 . . . . 75.32 112.517 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.27 175.8 12.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 73.54 110.883 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.294 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -90.56 144.84 25.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 72.21 110.892 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.6 tt -132.49 158.3 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 74.21 111.128 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -40.42 -61.38 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 72.53 110.876 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -50.1 -42.53 50.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 72.51 110.854 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 172.96 -78.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 73.11 110.935 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 1.419 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -149.08 162.92 38.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 71.14 110.91 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -157.63 134.65 10.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.828 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 17.6 m -101.89 176.26 5.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 75.15 110.94 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -138.95 118.04 12.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.917 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 75.34 110.94 -179.909 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.898 0.38 . . . . 72.34 111.063 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.292 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 19.3 m -96.13 133.23 40.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 73.54 110.84 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.2 m -123.03 -35.52 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 75.14 111.136 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -145.9 40.3 1.16 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 62.35 110.85 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 65.71 116.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 75.31 110.881 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.417 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.8 OUTLIER -50.86 -30.81 15.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 62.14 110.906 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.27 -69.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 73.2 110.905 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.47 -32.57 74.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 74.34 110.914 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -60.43 -34.99 74.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 74.04 110.929 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.61 -34.12 13.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 75.11 110.935 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -63.0 -23.47 67.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 72.43 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.21 -11.75 58.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 73.22 110.868 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -121.02 5.39 10.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 74.44 110.942 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.75 91.47 2.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 74.31 112.485 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.52 140.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.32 . . . . 72.04 111.126 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.71 -48.8 23.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 74.41 110.843 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -139.38 170.68 15.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 73.51 110.904 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.92 146.9 10.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.708 -0.758 . . . . 72.14 112.488 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.01 176.04 12.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 64.42 110.902 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.292 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.1 m -90.55 145.63 24.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 54.43 110.893 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.4 tt -132.97 158.35 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 75.14 111.137 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -40.53 -61.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 72.24 110.903 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.95 -42.39 48.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 74.21 110.837 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 173.0 -78.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 70.21 110.861 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 1.417 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -149.28 163.27 38.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 51.43 110.895 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -158.35 133.63 8.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 74.42 110.852 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 17.7 m -100.31 177.28 5.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.914 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -140.25 118.04 11.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 75.2 110.91 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 73.33 110.889 -179.902 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.814 0.34 . . . . 73.33 111.101 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.442 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 25.1 m -99.84 141.77 32.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 75.4 110.908 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.1 m -122.18 -35.38 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 75.14 111.145 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.5 pt-20 -149.4 38.18 0.78 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 71.15 110.917 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 65.48 115.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 73.45 110.872 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.233 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER -51.38 -29.88 17.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.897 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.96 -69.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.52 110.84 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -66.54 -35.33 79.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 75.22 110.882 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -58.23 -33.33 69.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 72.4 110.925 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -94.79 -34.09 12.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 55.24 110.835 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -65.37 -20.21 66.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.885 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.13 -10.32 56.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.31 110.905 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -118.85 -1.65 11.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.35 110.901 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.18 89.08 1.59 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 63.44 112.485 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.36 145.31 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 73.01 111.068 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.4 mtt-85 -77.29 -44.84 28.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 75.53 110.869 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.429 ' ND2' ' H ' ' A' ' 18' ' ' GLY . 3.5 t30 -145.56 178.81 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 72.3 110.858 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.429 ' H ' ' ND2' ' A' ' 17' ' ' ASN . . . 176.87 151.53 9.08 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 63.05 112.476 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.66 -178.89 6.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.352 . . . . 74.02 110.904 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.442 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.7 m -90.78 143.26 26.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 73.43 110.837 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.7 tt -132.33 157.94 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 74.32 111.148 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -40.54 -61.18 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.882 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 t -50.05 -42.63 50.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 63.5 110.865 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 172.75 -78.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 73.04 110.923 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 1.233 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -148.53 163.15 38.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 71.03 110.889 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -157.56 129.97 7.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 72.04 110.84 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.2 m -96.36 178.22 5.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 72.03 110.867 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -140.88 121.05 13.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 75.4 110.955 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 74.45 110.899 -179.863 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.86 0.362 . . . . 73.23 111.099 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.289 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 26.4 m -68.39 127.54 33.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.877 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.6 m -118.23 -41.13 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 74.55 111.11 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -139.81 41.18 2.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 73.42 110.864 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 65.66 116.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 73.34 110.874 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.458 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 1.0 OUTLIER -51.53 -29.93 18.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 72.41 110.865 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.475 ' NE ' HE22 ' A' ' 11' ' ' GLN . 0.0 OUTLIER -55.91 -70.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 74.52 110.88 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -34.15 76.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.35 110.871 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -58.24 -36.31 73.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 75.13 110.935 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -92.09 -40.13 11.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 74.04 110.883 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.475 HE22 ' NE ' ' A' ' 7' ' ' ARG . 26.0 mt-30 -55.64 -29.99 60.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 64.12 110.904 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.85 -25.16 62.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.873 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.22 5.64 25.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.34 110.878 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.61 100.8 2.66 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.772 -0.727 . . . . 63.22 112.493 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 177.65 143.38 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 65.31 111.117 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -42.01 61.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.877 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -150.58 174.62 12.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 74.21 110.887 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.27 143.5 8.18 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.778 -0.725 . . . . 72.45 112.505 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.01 176.11 12.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.329 . . . . 73.14 110.887 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.289 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -90.77 142.96 27.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 72.04 110.892 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.5 tt -131.04 158.38 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 75.54 111.163 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -40.23 -61.56 0.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.865 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.07 -42.74 50.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 60.43 110.834 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 172.9 -78.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 73.21 110.932 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 1.458 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -148.78 163.62 36.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 65.13 110.846 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -158.11 135.85 10.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.882 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 30.3 m -102.57 175.63 5.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 73.12 110.898 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -138.57 134.24 33.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.94 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.494 . . . . 74.23 110.947 -179.92 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.802 0.334 . . . . 74.44 111.116 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.3 m 50.47 87.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 71.2 110.883 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.1 m -51.5 -32.91 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 75.21 111.142 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -159.62 40.02 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.24 110.869 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 65.26 114.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 51.33 110.907 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.093 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 1.3 m -52.43 -27.98 18.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 75.23 110.899 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.456 ' NE ' HE22 ' A' ' 11' ' ' GLN . 0.2 OUTLIER -58.13 -62.14 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 75.23 110.905 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.66 -34.75 67.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 75.05 110.883 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -60.07 -35.19 74.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 71.43 110.913 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -93.11 -29.23 15.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 75.53 110.852 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.456 HE22 ' NE ' ' A' ' 7' ' ' ARG . 24.1 mt-30 -69.88 -23.09 63.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 75.14 110.912 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.14 -7.66 59.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.858 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -120.88 -7.58 9.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.858 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 118.15 90.53 1.41 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.793 -0.718 . . . . 74.03 112.543 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.33 143.53 0.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.82 0.343 . . . . 73.41 111.109 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -51.69 21.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 72.22 110.862 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -139.56 170.11 16.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 73.44 110.867 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -166.72 145.65 10.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 73.21 112.486 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.86 174.81 13.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 65.03 110.871 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 m -90.15 142.87 27.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 73.33 110.889 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.7 tt -130.95 158.0 43.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 73.22 111.149 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -40.59 -61.22 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 74.13 110.873 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.02 -42.49 49.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 65.21 110.907 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 172.77 -78.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 63.3 110.914 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 1.093 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -148.89 162.05 40.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 61.24 110.87 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -156.84 135.32 11.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 75.43 110.871 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.0 m -103.68 175.13 5.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 53.35 110.829 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -137.62 119.3 15.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 74.5 110.931 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 72.51 110.943 -179.931 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.854 0.359 . . . . 74.32 111.093 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 14.4 m -78.6 112.07 15.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 74.22 110.866 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.6 m -50.89 -31.91 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 65.33 111.084 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -171.45 -165.25 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 74.02 110.871 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -77.25 114.27 15.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 74.42 110.83 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.237 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER -50.54 -28.24 8.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 65.02 110.926 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -65.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 72.5 110.852 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.91 -39.04 92.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 72.23 110.921 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -59.13 -52.47 65.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 64.13 110.952 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.1 t -74.36 -22.99 58.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 73.24 110.856 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -67.58 -31.48 71.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 73.44 110.868 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.21 -49.04 54.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 71.2 110.902 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -71.7 -14.42 62.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 75.24 110.861 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.91 96.23 1.49 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 74.13 112.449 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.31 139.06 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 73.14 111.064 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -70.62 -41.41 72.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 73.33 110.833 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -148.99 177.09 9.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 74.13 110.858 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 175.55 157.31 16.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 73.22 112.452 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.72 178.56 10.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.893 0.377 . . . . 72.55 110.874 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -88.93 144.12 26.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 75.14 110.864 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.9 tt -131.37 158.35 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 72.14 111.149 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -40.93 -61.81 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 72.22 110.916 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.51 -41.68 41.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 62.32 110.875 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 172.87 -78.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 74.33 110.848 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 1.237 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -150.12 162.58 40.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 73.42 110.921 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -159.04 128.22 5.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 72.32 110.842 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.6 m -94.12 -179.67 5.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 72.41 110.882 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -143.43 121.04 11.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 73.02 110.955 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.901 -179.881 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.832 0.349 . . . . 74.34 111.062 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.272 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 19.0 m -74.8 132.59 41.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 63.33 110.902 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.5 m -108.57 -31.49 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 74.31 111.127 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -150.83 40.07 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 64.1 110.888 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 65.82 117.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 73.55 110.924 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.96 -26.66 26.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.01 110.909 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.63 -67.77 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 74.42 110.887 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.52 -35.18 75.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 72.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -58.89 -45.07 91.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 75.02 110.893 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.1 t -83.09 -34.18 26.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 65.35 110.839 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -62.35 -22.71 66.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 72.33 110.909 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -79.22 -20.97 46.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 71.2 110.908 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.54 -1.67 21.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 75.22 110.875 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 112.1 94.12 2.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 64.34 112.445 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -170.78 149.99 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 64.13 111.109 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.35 -47.96 10.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 73.44 110.894 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -152.31 124.83 8.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 61.45 110.856 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.6 156.7 17.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 72.31 112.519 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.4 -174.34 4.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.898 0.38 . . . . 72.35 110.868 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.272 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.3 m -97.55 150.4 21.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 63.22 110.861 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.2 tt -134.08 158.74 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 64.44 111.134 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -41.13 -61.57 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 72.2 110.864 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m -49.54 -41.17 40.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.842 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 173.48 -79.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 64.31 110.89 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -147.23 170.28 17.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 63.13 110.858 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.79 154.53 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.821 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.1 m -123.1 169.23 11.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 75.14 110.875 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -136.74 120.27 17.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 65.21 110.921 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.498 . . . . 75.15 110.91 -179.906 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.849 0.356 . . . . 61.21 111.066 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 19.4 m -107.36 122.17 46.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 74.02 110.886 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.5 m -92.65 -30.63 4.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 75.25 111.102 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -151.82 39.98 0.64 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.864 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 65.82 117.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 74.54 110.903 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.95 -26.64 26.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 52.52 110.919 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.55 -67.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.917 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 tptt -69.49 -35.26 75.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.93 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -58.79 -44.86 90.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 74.53 110.909 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.1 t -83.37 -34.26 25.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 62.24 110.886 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -62.35 -22.65 66.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 73.03 110.935 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.22 -21.04 46.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 72.41 110.849 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.59 -1.68 21.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.881 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 112.21 94.1 2.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 64.32 112.46 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -170.85 149.94 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.32 . . . . 72.12 111.138 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -84.27 -47.97 10.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 74.33 110.896 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -152.33 124.75 8.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 71.14 110.897 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.58 156.73 17.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.777 -0.725 . . . . 72.34 112.532 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.42 -174.33 4.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 71.23 110.904 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.4 m -97.59 150.42 21.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.51 110.911 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.2 tt -134.14 158.76 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 75.5 111.106 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -41.08 -61.61 0.97 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 74.04 110.915 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.51 -41.17 40.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 71.11 110.86 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 173.45 -78.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 64.34 110.891 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -147.25 170.27 17.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 71.14 110.859 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.82 154.53 7.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 65.4 110.859 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.2 m -123.12 169.18 11.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.893 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -136.7 120.32 17.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 73.41 110.947 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 73.23 110.907 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.913 0.387 . . . . 54.310000000000002 110.877 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.85 -29.11 18.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 75.420000000000002 110.918 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -71.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 75.439999999999998 110.881 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -32.96 74.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 75.519999999999996 110.935 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -59.17 -36.71 75.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 63.229999999999997 110.934 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.14 -38.15 12.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.05 -0.523 . . . . 74.25 110.878 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -56.86 -23.26 43.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 64.019999999999996 110.95 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -78.89 -24.35 44.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.319999999999993 110.829 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.67 3.44 29.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 74.140000000000001 110.9 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.48 95.29 2.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 64.450000000000003 112.497 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -177.35 139.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.34 . . . . 62.130000000000003 111.089 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.14 -34.33 63.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 75.010000000000005 110.874 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -157.4 -179.74 8.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 65.349999999999994 110.886 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.44 162.5 27.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 63.310000000000002 112.482 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.65 179.82 5.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 61.049999999999997 110.882 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -89.62 147.77 23.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 74.239999999999995 110.872 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.537 HG23 ' H ' ' A' ' 24' ' ' ASN . 3.6 tt -134.6 158.76 41.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 64.25 111.134 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -40.41 -61.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 64.329999999999998 110.893 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.5 m -49.94 -42.45 48.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 44.409999999999997 110.878 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.537 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.5 OUTLIER 173.0 -77.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 60.310000000000002 110.913 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.88 165.07 32.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 75.319999999999993 110.889 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -163.59 130.24 3.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 75.150000000000006 110.88 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.7 m -93.98 -179.38 4.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 73.019999999999996 110.879 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -143.27 122.64 13.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 72.5 110.938 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 64.510000000000005 110.973 -179.937 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.87 0.367 . . . . 60.210000000000001 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.317 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.6 OUTLIER -51.93 -29.21 19.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 54.149999999999999 110.864 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -68.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 74.120000000000005 110.938 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -67.87 -32.62 73.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 71.5 110.888 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -60.21 -37.23 79.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 75.099999999999994 110.901 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -91.24 -39.21 12.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 75.329999999999998 110.858 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -58.45 -22.03 53.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 74.400000000000006 110.906 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -81.09 -17.66 49.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 63.229999999999997 110.872 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -114.33 4.85 15.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 74.109999999999999 110.89 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.88 93.47 2.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 62.409999999999997 112.501 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -177.77 138.55 0.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.789 0.328 . . . . 73.5 111.135 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -35.71 65.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 62.229999999999997 110.885 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -156.06 179.57 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 64.540000000000006 110.875 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.19 160.87 24.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 74.239999999999995 112.518 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.47 179.98 6.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.338 . . . . 75.219999999999999 110.885 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.6 m -89.52 148.22 23.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 51.43 110.856 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.546 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.0 tt -135.32 158.66 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 65.549999999999997 111.181 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -40.49 -61.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 72.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.15 -42.22 50.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 41.329999999999998 110.876 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.546 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.0 m-20 172.68 -77.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 62.240000000000002 110.883 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 1.317 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -148.82 164.66 33.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 74.340000000000003 110.896 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -163.08 129.0 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 70.099999999999994 110.832 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.4 m -92.87 -178.51 4.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 63.310000000000002 110.915 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -144.5 122.39 12.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 65.340000000000003 110.945 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 75.230000000000004 110.92 -179.921 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.857 0.36 . . . . 73.430000000000007 110.852 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -52.04 -28.73 18.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.450000000000003 110.865 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 mtm-85 -57.73 -70.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 73.299999999999997 110.844 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -67.51 -31.3 71.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.329999999999998 110.928 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -60.71 -38.16 84.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 75.200000000000003 110.934 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -91.44 -37.42 13.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 61.130000000000003 110.871 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -56.94 -23.89 48.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 72.349999999999994 110.89 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -78.31 -23.32 47.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 73.019999999999996 110.857 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.62 4.86 26.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 73.400000000000006 110.911 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.01 94.88 2.38 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 60.009999999999998 112.52 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.62 139.62 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 60.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -43.96 56.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 75.239999999999995 110.836 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -143.8 173.0 12.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 54.240000000000002 110.926 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -172.26 148.38 10.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 74.319999999999993 112.512 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.46 177.85 10.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.797 0.332 . . . . 74.140000000000001 110.883 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -91.4 148.21 22.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 75.200000000000003 110.851 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.536 HG23 ' H ' ' A' ' 24' ' ' ASN . 3.8 tt -134.92 158.91 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 74.409999999999997 111.132 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -40.56 -61.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 75.400000000000006 110.855 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.97 -42.01 47.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 60.009999999999998 110.838 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.536 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.1 m-20 172.74 -77.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 64.329999999999998 110.9 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.1 165.61 31.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 71.209999999999994 110.907 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -161.2 131.54 5.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 72.239999999999995 110.849 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.3 m -97.81 178.34 5.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 74.200000000000003 110.882 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -141.36 117.95 10.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 72.439999999999998 110.899 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 62.409999999999997 110.952 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.876 0.37 . . . . 73.340000000000003 110.867 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.97 -29.08 19.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 53.32 110.911 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -57.39 -70.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 71.400000000000006 110.89 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.36 -32.04 72.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 71.430000000000007 110.854 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -60.42 -40.46 91.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 52.100000000000001 110.94 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -88.35 -37.4 15.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 75.150000000000006 110.909 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -56.67 -24.42 48.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 74.310000000000002 110.92 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -77.68 -24.25 49.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 55.130000000000003 110.878 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.67 4.85 28.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 71.030000000000001 110.916 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.67 95.6 2.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 73.329999999999998 112.507 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.44 137.64 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 54.109999999999999 111.104 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -45.83 61.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 55.140000000000001 110.834 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -142.65 171.95 13.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 74.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.74 147.29 10.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.74 . . . . 74.430000000000007 112.497 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.425 ' HE3' ' HH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -153.86 179.49 8.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 72.540000000000006 110.92 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -91.95 148.86 21.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 71.239999999999995 110.836 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.535 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.0 tt -135.06 158.86 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 60.32 111.139 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -40.31 -61.37 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 42.200000000000003 110.873 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.9 t -50.22 -42.44 51.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 63.229999999999997 110.833 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.535 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.8 m-20 173.14 -77.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 72.299999999999997 110.896 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.32 165.74 30.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 73.219999999999999 110.912 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -162.35 132.82 4.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 51.119999999999997 110.88 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.5 m -97.44 179.58 4.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 42.43 110.86 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.425 ' HH ' ' HE3' ' A' ' 19' ' ' LYS . 57.8 m-85 -143.34 118.51 10.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 75.439999999999998 110.911 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 74.230000000000004 110.902 -179.923 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.889 0.376 . . . . 71.099999999999994 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.83 -28.04 21.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.230000000000004 110.853 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -57.66 -69.52 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 73.049999999999997 110.878 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.26 -32.73 72.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 72.209999999999994 110.873 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -59.41 -38.38 80.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 75.030000000000001 110.926 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -91.52 -38.22 12.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 62.409999999999997 110.9 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -57.76 -23.34 51.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 72.219999999999999 110.889 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -78.62 -23.62 45.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 65.25 110.847 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.44 2.65 26.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 71.209999999999994 110.942 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.62 94.87 2.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 61.140000000000001 112.463 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.05 149.89 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 43.450000000000003 111.08 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.18 -49.84 11.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 60.009999999999998 110.852 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -138.39 172.46 12.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 71.230000000000004 110.886 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -167.48 141.7 7.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 51.420000000000002 112.489 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.15 175.62 12.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 73.150000000000006 110.913 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -90.92 143.71 26.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 71.5 110.899 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.546 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.3 tt -131.46 158.75 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 52.310000000000002 111.163 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -40.21 -61.49 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 64.019999999999996 110.909 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.7 t -50.22 -42.61 51.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 44.539999999999999 110.895 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.546 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.5 OUTLIER 173.0 -77.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 72.510000000000005 110.905 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.89 164.3 34.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 75.120000000000005 110.894 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -158.4 135.37 9.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 75.430000000000007 110.842 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.4 m -103.39 175.05 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.430000000000007 110.871 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -136.74 124.54 22.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 71.319999999999993 110.914 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 72.439999999999998 110.949 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.862 0.363 . . . . 62.020000000000003 110.876 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.3 -28.15 17.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 55.119999999999997 110.895 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.1 mtm-85 -58.57 -71.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 64.209999999999994 110.905 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.62 -29.71 69.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 62.039999999999999 110.893 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -61.86 -39.66 92.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 71.329999999999998 110.943 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.11 -38.73 13.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 51.549999999999997 110.835 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -57.53 -24.08 54.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 61.229999999999997 110.935 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -79.1 -20.41 48.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 70.219999999999999 110.876 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -112.78 7.43 18.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 63.229999999999997 110.923 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.87 94.78 2.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 75.310000000000002 112.474 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.87 137.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 71.329999999999998 111.131 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.07 -43.24 62.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 61.240000000000002 110.925 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -145.55 173.05 12.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 72.439999999999998 110.897 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -173.39 150.39 12.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.742 . . . . 71.450000000000003 112.492 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.34 177.67 11.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 73.129999999999995 110.854 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -90.67 147.84 23.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 43.030000000000001 110.843 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.555 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.2 tt -134.7 158.55 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 71.549999999999997 111.079 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -40.78 -61.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 70.049999999999997 110.858 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.02 -42.03 48.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 71.239999999999995 110.852 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.555 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.1 m-20 172.63 -78.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 74.310000000000002 110.865 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.14 163.82 36.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 51.439999999999998 110.845 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -159.97 131.11 5.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 74.049999999999997 110.908 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.9 m -96.44 179.77 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 70.219999999999999 110.899 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -143.1 119.22 10.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 73.510000000000005 110.909 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 74.140000000000001 110.898 -179.905 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.859 0.362 . . . . 74.329999999999998 110.894 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.79 -29.19 18.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 52.149999999999999 110.886 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -70.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 60.210000000000001 110.873 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -66.87 -33.56 75.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 71.530000000000001 110.872 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -59.53 -37.42 78.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 64.219999999999999 110.938 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -90.47 -36.37 14.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 70.319999999999993 110.861 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -57.47 -22.72 45.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 74.430000000000007 110.869 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.46 -22.14 44.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 75.040000000000006 110.837 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.5 3.87 23.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 72.099999999999994 110.908 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.37 94.33 2.35 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 73.140000000000001 112.497 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.15 137.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 71.099999999999994 111.079 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -70.74 -45.5 64.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 55.450000000000003 110.894 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -142.7 171.91 13.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 54.240000000000002 110.865 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.99 148.06 10.55 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 71.120000000000005 112.465 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.14 179.13 9.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.823 0.344 . . . . 73.549999999999997 110.874 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -91.75 148.61 22.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 53.009999999999998 110.943 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.532 HG23 ' H ' ' A' ' 24' ' ' ASN . 3.8 tt -134.66 158.98 41.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 52.420000000000002 111.143 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -40.41 -61.49 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 75.25 110.896 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.1 -42.33 50.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 71.150000000000006 110.876 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.532 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.6 m-20 173.2 -77.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 74.239999999999995 110.851 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.42 166.12 29.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 74.140000000000001 110.894 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.41 ' CD2' ' HH ' ' A' ' 28' ' ' TYR . 1.7 p-80 -163.18 132.03 3.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 73.319999999999993 110.855 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.5 m -96.24 179.97 4.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 74.150000000000006 110.865 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.41 ' HH ' ' CD2' ' A' ' 26' ' ' HIS . 59.1 m-85 -143.9 118.39 9.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 73.430000000000007 110.923 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 75.129999999999995 110.921 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.871 0.367 . . . . 73.219999999999999 110.881 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.27 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.8 OUTLIER -51.71 -29.24 17.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 71.109999999999999 110.902 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.81 -70.01 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 62.310000000000002 110.917 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.5 -33.03 74.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 64.439999999999998 110.936 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -59.55 -36.75 76.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 75.319999999999993 110.931 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.08 -37.52 12.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 64.409999999999997 110.91 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -57.0 -23.41 45.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 73.219999999999999 110.945 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.9 -23.49 44.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 71.120000000000005 110.885 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.99 4.02 26.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 71.519999999999996 110.885 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.51 94.83 2.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 71.329999999999998 112.485 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.66 138.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.754 0.311 . . . . 74.409999999999997 111.093 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -72.75 -40.32 66.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 73.209999999999994 110.839 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -148.8 175.53 11.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 72.230000000000004 110.864 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -177.51 150.37 10.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.741 -0.742 . . . . 62.32 112.49 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.17 179.3 9.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.832 0.349 . . . . 74.519999999999996 110.944 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -91.39 146.92 23.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 71.519999999999996 110.882 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.464 HG23 ' H ' ' A' ' 24' ' ' ASN . 2.5 tt -133.46 160.14 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 71.209999999999994 111.139 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -40.91 -61.71 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 42.200000000000003 110.881 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -50.0 -41.59 47.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 75.010000000000005 110.857 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.464 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.0 m-20 172.19 -77.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 64.439999999999998 110.873 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 1.27 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -149.15 167.33 26.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 73.049999999999997 110.894 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -164.19 128.92 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 72.219999999999999 110.829 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 13.0 m -92.75 -178.8 4.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 70.349999999999994 110.87 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -145.08 119.83 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 74.239999999999995 110.931 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 63.109999999999999 110.91 -179.893 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.877 0.37 . . . . 72.129999999999995 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.352 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER -52.72 -27.78 19.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 64.010000000000005 110.897 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -63.91 1.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 65.349999999999994 110.874 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.71 -34.97 72.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 54.32 110.892 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -60.21 -43.05 96.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 70.030000000000001 110.912 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -84.65 -37.29 21.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 74.420000000000002 110.911 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -52.98 -33.94 53.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 64.010000000000005 110.877 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -66.46 -50.49 63.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 63.009999999999998 110.862 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -8.15 54.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 73.409999999999997 110.883 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.78 98.3 2.21 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.671 -0.776 . . . . 65.450000000000003 112.462 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -179.18 139.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.75 0.309 . . . . 65.140000000000001 111.131 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.55 -36.92 71.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 70.340000000000003 110.853 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.42 ' ND2' ' H ' ' A' ' 18' ' ' GLY . 3.8 t30 -153.14 178.51 9.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 61.100000000000001 110.861 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.42 ' H ' ' ND2' ' A' ' 17' ' ' ASN . . . 177.49 161.94 26.8 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 61.329999999999998 112.487 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.36 179.72 6.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 64.030000000000001 110.916 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.5 m -90.45 146.82 23.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 71.030000000000001 110.886 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.461 HG23 ' H ' ' A' ' 24' ' ' ASN . 2.6 tt -133.81 159.99 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 73.239999999999995 111.122 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -40.87 -61.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 75.420000000000002 110.896 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.8 m -49.74 -41.82 44.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 52.100000000000001 110.878 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.461 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.5 OUTLIER 172.42 -77.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 70.109999999999999 110.902 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 1.352 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -149.13 166.53 28.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 64.010000000000005 110.886 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -164.49 128.32 2.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 72.129999999999995 110.863 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.4 m -91.37 -178.1 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 75.5 110.902 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -145.67 122.24 11.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 70.150000000000006 110.916 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 71.219999999999999 110.967 -179.922 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.918 0.39 . . . . 55.229999999999997 110.868 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.49 -28.21 19.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.219999999999999 110.886 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -57.93 -70.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 73.329999999999998 110.883 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -67.78 -31.4 71.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 74.400000000000006 110.854 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -60.25 -39.09 85.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 74.510000000000005 110.943 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -90.88 -39.0 12.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 53.539999999999999 110.895 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -57.85 -23.34 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 53.229999999999997 110.907 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -79.74 -19.54 48.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 72.540000000000006 110.863 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -112.96 5.8 17.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 70.319999999999993 110.902 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.63 94.7 2.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.737 . . . . 75.510000000000005 112.481 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.65 138.24 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.762 0.315 . . . . 52.100000000000001 111.118 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.47 -39.65 64.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 73.25 110.873 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -150.32 175.32 11.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 63.399999999999999 110.855 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' A' ' 27' ' ' CYS . . . -176.65 151.21 11.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 43.539999999999999 112.483 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.96 178.47 10.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 54.539999999999999 110.933 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -90.6 146.98 23.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 65.099999999999994 110.874 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.558 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.2 tt -133.99 158.39 42.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 75.430000000000007 111.074 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -40.56 -61.39 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 73.140000000000001 110.88 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.01 -42.31 48.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 74.400000000000006 110.833 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.558 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.6 OUTLIER 172.94 -78.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 72.549999999999997 110.903 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.09 163.93 36.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 64.510000000000005 110.887 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -160.31 129.6 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 72.409999999999997 110.85 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.4 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 11.6 m -94.43 -179.58 4.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 70.310000000000002 110.905 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -143.88 120.68 11.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 51.399999999999999 110.891 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 73.049999999999997 110.905 -179.928 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.833 0.349 . . . . 71.430000000000007 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -51.98 -28.71 17.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 52.210000000000001 110.869 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.78 -71.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 73.219999999999999 110.875 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.48 -32.98 74.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.519999999999996 110.914 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -59.19 -38.46 79.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 71.530000000000001 110.89 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -90.31 -38.11 13.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 75.439999999999998 110.877 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -57.73 -23.58 52.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 64.530000000000001 110.93 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -79.6 -20.1 47.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 72.25 110.854 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.86 6.74 18.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 74.120000000000005 110.844 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.02 94.84 2.36 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 50.32 112.511 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.61 135.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 54.119999999999997 111.095 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.2 -46.25 64.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 74.319999999999993 110.927 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -142.67 171.24 14.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 73.25 110.914 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -170.79 151.4 15.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 61.43 112.482 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.96 177.96 10.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.767 0.317 . . . . 73.420000000000002 110.926 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -91.8 148.2 22.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 75.239999999999995 110.9 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.463 HG23 ' H ' ' A' ' 24' ' ' ASN . 2.6 tt -134.01 160.11 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 65.540000000000006 111.102 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.85 -61.6 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 54.130000000000003 110.907 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.03 -41.81 48.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 33.109999999999999 110.858 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.463 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.4 OUTLIER 172.59 -77.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 42.530000000000001 110.861 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.68 167.55 25.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 64.329999999999998 110.897 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -164.81 132.14 3.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 75.319999999999993 110.9 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 15.4 m -96.25 -179.69 4.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 51.539999999999999 110.905 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -144.15 118.54 9.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 70.239999999999995 110.952 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 73.540000000000006 110.943 -179.914 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.861 0.362 . . . . 50.340000000000003 110.908 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.267 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER -50.92 -30.69 15.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 71.310000000000002 110.858 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.14 -70.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 62.539999999999999 110.862 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -32.84 74.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 65.040000000000006 110.92 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -60.16 -34.88 74.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 72.310000000000002 110.929 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.56 -34.58 13.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 72.349999999999994 110.899 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -62.39 -23.51 66.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 72.200000000000003 110.932 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -81.88 -12.33 58.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 50.109999999999999 110.911 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -120.68 5.83 10.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 72.349999999999994 110.906 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.12 91.82 2.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 32.329999999999998 112.481 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.61 139.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 73.340000000000003 111.072 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.09 -48.23 31.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 62.219999999999999 110.868 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -140.08 170.74 15.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 72.409999999999997 110.864 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.08 147.24 10.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 74.319999999999993 112.486 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.17 176.17 12.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 62.200000000000003 110.918 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -90.65 145.81 24.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 70.230000000000004 110.884 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.56 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.4 tt -133.07 158.37 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.109999999999999 111.127 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -40.53 -61.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 72.239999999999995 110.858 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.96 -42.4 48.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 72.430000000000007 110.866 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.56 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.5 m-20 173.01 -78.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 72.219999999999999 110.908 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 1.267 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -149.16 163.34 37.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 73.209999999999994 110.863 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -158.53 133.36 8.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 75.510000000000005 110.864 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.8 m -99.79 177.7 5.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 73.319999999999993 110.885 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -140.77 118.16 11.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 64.140000000000001 110.959 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 54.340000000000003 110.954 -179.905 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.87 0.367 . . . . 71.519999999999996 110.915 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.34 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.8 OUTLIER -51.3 -30.27 17.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 43.130000000000003 110.89 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.49 -69.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 75.129999999999995 110.877 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -67.4 -32.96 74.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 75.340000000000003 110.913 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -59.87 -35.73 75.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 75.340000000000003 110.906 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.11 -35.22 13.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 71.420000000000002 110.881 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -62.87 -23.1 67.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 71.349999999999994 110.903 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.32 -11.72 58.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 71.230000000000004 110.857 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -120.76 4.46 10.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 64.310000000000002 110.872 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.03 91.24 2.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 52.149999999999999 112.465 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.63 143.86 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.755 0.312 . . . . 45.32 111.122 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -76.99 -50.07 13.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.239999999999995 110.9 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -138.01 170.54 15.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 74.420000000000002 110.919 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 27' ' ' CYS . . . -167.89 145.37 9.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.733 . . . . 75.319999999999993 112.517 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.27 175.8 12.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 73.540000000000006 110.883 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.56 144.84 25.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 72.209999999999994 110.892 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.563 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.6 tt -132.49 158.3 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 74.209999999999994 111.128 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -40.42 -61.38 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 71.209999999999994 110.876 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -50.1 -42.53 50.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 72.510000000000005 110.854 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.563 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.5 OUTLIER 172.96 -78.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 73.109999999999999 110.935 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 1.34 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -149.08 162.92 38.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 71.140000000000001 110.91 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -157.63 134.65 10.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 74.239999999999995 110.828 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.401 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 17.6 m -101.89 176.26 5.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 75.150000000000006 110.94 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -138.95 118.04 12.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 74.430000000000007 110.917 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 75.340000000000003 110.94 -179.909 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.823 0.344 . . . . 75.310000000000002 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.269 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.8 OUTLIER -50.86 -30.81 15.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 62.140000000000001 110.906 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.27 -69.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 71.200000000000003 110.905 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.47 -32.57 74.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 74.340000000000003 110.914 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -60.43 -34.99 74.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 65.109999999999999 110.929 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.61 -34.12 13.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 63.030000000000001 110.935 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -63.0 -23.47 67.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 72.430000000000007 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.21 -11.75 58.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 42.210000000000001 110.868 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -121.02 5.39 10.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 74.439999999999998 110.942 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.75 91.47 2.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 74.310000000000002 112.485 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.52 140.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.32 . . . . 62.399999999999999 111.126 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.71 -48.8 23.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 74.409999999999997 110.843 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -139.38 170.68 15.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 64.209999999999994 110.904 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.92 146.9 10.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.708 -0.758 . . . . 61.210000000000001 112.488 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.01 176.04 12.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 45.210000000000001 110.902 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -90.55 145.63 24.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 53.439999999999998 110.893 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.561 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.4 tt -132.97 158.35 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 64.340000000000003 111.137 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -40.53 -61.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 71.310000000000002 110.903 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.95 -42.39 48.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 74.209999999999994 110.837 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.561 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.7 m-20 173.0 -78.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 70.209999999999994 110.861 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 1.269 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -149.28 163.27 38.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 51.43 110.895 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -158.35 133.63 8.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 74.420000000000002 110.852 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 17.7 m -100.31 177.28 5.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 74.540000000000006 110.914 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -140.25 118.04 11.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 74.150000000000006 110.91 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 73.329999999999998 110.889 -179.902 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.86 0.362 . . . . 72.340000000000003 110.872 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.185 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER -51.38 -29.88 17.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 72.329999999999998 110.897 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.96 -69.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.510000000000005 110.84 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -66.54 -35.33 79.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 75.219999999999999 110.882 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -58.23 -33.33 69.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 72.400000000000006 110.925 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -94.79 -34.09 12.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 53.149999999999999 110.835 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -65.37 -20.21 66.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.310000000000002 110.885 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.13 -10.32 56.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 63.149999999999999 110.905 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -118.85 -1.65 11.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.120000000000005 110.901 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.18 89.08 1.59 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 52.5 112.485 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.36 145.31 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 73.010000000000005 111.068 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.4 mtt-85 -77.29 -44.84 28.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 73.310000000000002 110.869 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -145.56 178.81 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 61.039999999999999 110.858 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.402 ' HA2' ' HA ' ' A' ' 27' ' ' CYS . . . 176.87 151.53 9.08 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 63.049999999999997 112.476 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.66 -178.89 6.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.352 . . . . 74.019999999999996 110.904 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.7 m -90.78 143.26 26.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 73.430000000000007 110.837 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.58 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.7 tt -132.33 157.94 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 63.100000000000001 111.148 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -40.54 -61.18 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.209999999999994 110.882 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 t -50.05 -42.63 50.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 63.5 110.865 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.58 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.5 m-20 172.75 -78.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 73.040000000000006 110.923 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 1.185 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -148.53 163.15 38.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 71.030000000000001 110.889 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -157.56 129.97 7.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 72.040000000000006 110.84 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.402 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 19.2 m -96.36 178.22 5.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 33.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -140.88 121.05 13.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 75.400000000000006 110.955 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 74.450000000000003 110.899 -179.863 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.871 0.367 . . . . 73.340000000000003 110.874 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.402 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 1.0 OUTLIER -51.53 -29.93 18.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 63.009999999999998 110.865 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -70.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 70.010000000000005 110.88 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -34.15 76.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.349999999999994 110.871 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -58.24 -36.31 73.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 75.129999999999995 110.935 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -92.09 -40.13 11.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 74.040000000000006 110.883 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -55.64 -29.99 60.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 64.040000000000006 110.904 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.85 -25.16 62.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 70.209999999999994 110.873 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.22 5.64 25.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.340000000000003 110.878 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . 105.61 100.8 2.66 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.772 -0.727 . . . . 63.219999999999999 112.493 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 177.65 143.38 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 65.310000000000002 111.117 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -42.01 61.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 74.430000000000007 110.877 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -150.58 174.62 12.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 74.209999999999994 110.887 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.27 143.5 8.18 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.778 -0.725 . . . . 72.450000000000003 112.505 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.01 176.11 12.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.329 . . . . 73.140000000000001 110.887 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.77 142.96 27.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 72.040000000000006 110.892 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.559 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.5 tt -131.04 158.38 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 75.540000000000006 111.163 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -40.23 -61.56 0.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 71.510000000000005 110.865 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.07 -42.74 50.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 60.43 110.834 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.559 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.8 m-20 172.9 -78.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 73.209999999999994 110.932 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 1.402 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -148.78 163.62 36.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 41.450000000000003 110.846 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -158.11 135.85 10.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 63.399999999999999 110.882 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 30.3 m -102.57 175.63 5.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 73.120000000000005 110.898 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -138.57 134.24 33.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 65.25 110.94 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.494 . . . . 74.230000000000004 110.947 -179.92 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.869 0.366 . . . . 51.329999999999998 110.907 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.087 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 1.3 m -52.43 -27.98 18.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.340000000000003 110.899 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.13 -62.14 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 72.120000000000005 110.905 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.66 -34.75 67.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 75.049999999999997 110.883 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -60.07 -35.19 74.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 71.430000000000007 110.913 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -93.11 -29.23 15.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 75.530000000000001 110.852 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -69.88 -23.09 63.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 71.310000000000002 110.912 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.14 -7.66 59.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 73.219999999999999 110.858 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -120.88 -7.58 9.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.329999999999998 110.858 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 118.15 90.53 1.41 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.793 -0.718 . . . . 74.030000000000001 112.543 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.33 143.53 0.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.82 0.343 . . . . 64.209999999999994 111.109 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -51.69 21.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 72.049999999999997 110.862 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -139.56 170.11 16.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 70.540000000000006 110.867 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 27' ' ' CYS . . . -166.72 145.65 10.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 73.209999999999994 112.486 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.86 174.81 13.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 63.439999999999998 110.871 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 m -90.15 142.87 27.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 62.329999999999998 110.889 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.576 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.7 tt -130.95 158.0 43.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 52.439999999999998 111.149 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -40.59 -61.22 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 74.129999999999995 110.873 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.02 -42.49 49.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 65.209999999999994 110.907 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.576 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.5 m-20 172.77 -78.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 61.100000000000001 110.914 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 1.087 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -148.89 162.05 40.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 61.240000000000002 110.87 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -156.84 135.32 11.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 75.430000000000007 110.871 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.404 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 12.0 m -103.68 175.13 5.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 53.350000000000001 110.829 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -137.62 119.3 15.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 74.120000000000005 110.931 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 72.329999999999998 110.943 -179.931 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.898 0.38 . . . . 72.420000000000002 110.83 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.237 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER -50.54 -28.24 8.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 65.019999999999996 110.926 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -65.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 72.5 110.852 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.91 -39.04 92.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 62.140000000000001 110.921 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -59.13 -52.47 65.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 64.129999999999995 110.952 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.1 t -74.36 -22.99 58.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 73.239999999999995 110.856 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -67.58 -31.48 71.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 63.509999999999998 110.868 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.21 -49.04 54.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 62.130000000000003 110.902 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -71.7 -14.42 62.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 75.239999999999995 110.861 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.91 96.23 1.49 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 44.229999999999997 112.449 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.31 139.06 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 54.310000000000002 111.064 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -70.62 -41.41 72.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 73.329999999999998 110.833 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.401 ' ND2' ' H ' ' A' ' 18' ' ' GLY . 4.1 t30 -148.99 177.09 9.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 72.150000000000006 110.858 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.401 ' H ' ' ND2' ' A' ' 17' ' ' ASN . . . 175.55 157.31 16.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 63.009999999999998 112.452 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.72 178.56 10.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.893 0.377 . . . . 72.549999999999997 110.874 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -88.93 144.12 26.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 75.140000000000001 110.864 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.557 HG23 ' H ' ' A' ' 24' ' ' ASN . 3.9 tt -131.37 158.35 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 72.140000000000001 111.149 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -40.93 -61.81 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 62.340000000000003 110.916 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.51 -41.68 41.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 54.450000000000003 110.875 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.557 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.5 OUTLIER 172.87 -78.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 74.329999999999998 110.848 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 1.237 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -150.12 162.58 40.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 73.420000000000002 110.921 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.429 ' CD2' ' HH ' ' A' ' 28' ' ' TYR . 2.5 p-80 -159.04 128.22 5.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 72.319999999999993 110.842 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.6 m -94.12 -179.67 5.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 72.409999999999997 110.882 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.429 ' HH ' ' CD2' ' A' ' 26' ' ' HIS . 58.0 m-85 -143.43 121.04 11.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 71.049999999999997 110.955 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 75.430000000000007 110.901 -179.881 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.854 0.359 . . . . 73.319999999999993 110.924 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.96 -26.66 26.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.010000000000005 110.909 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.63 -67.77 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 74.209999999999994 110.887 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.52 -35.18 75.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 71.010000000000005 110.87 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -58.89 -45.07 91.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 75.019999999999996 110.893 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.1 t -83.09 -34.18 26.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 62.149999999999999 110.839 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -62.35 -22.71 66.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 72.329999999999998 110.909 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -79.22 -20.97 46.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 64.409999999999997 110.908 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.54 -1.67 21.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 53.340000000000003 110.875 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 112.1 94.12 2.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 63.329999999999998 112.445 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -170.78 149.99 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 54.399999999999999 111.109 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.35 -47.96 10.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 72.430000000000007 110.894 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -152.31 124.83 8.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 61.450000000000003 110.856 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.6 156.7 17.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 72.310000000000002 112.519 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HE2' ' HH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -158.4 -174.34 4.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.898 0.38 . . . . 72.349999999999994 110.868 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -97.55 150.4 21.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 43.409999999999997 110.861 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.549 HD12 ' CD2' ' A' ' 26' ' ' HIS . 3.2 tt -134.08 158.74 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 64.439999999999998 111.134 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -41.13 -61.57 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 70.140000000000001 110.864 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m -49.54 -41.17 40.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 70.010000000000005 110.842 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.524 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.6 OUTLIER 173.48 -79.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 64.310000000000002 110.89 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -147.23 170.28 17.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 55.119999999999997 110.858 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.549 ' CD2' HD12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -167.79 154.53 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 74.430000000000007 110.821 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.1 m -123.1 169.23 11.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 75.140000000000001 110.875 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.418 ' HH ' ' HE2' ' A' ' 19' ' ' LYS . 38.9 m-85 -136.74 120.27 17.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 63.520000000000003 110.921 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.498 . . . . 72.530000000000001 110.91 -179.906 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.859 0.361 . . . . 72.129999999999995 110.903 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.95 -26.64 26.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 51.119999999999997 110.919 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.55 -67.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 51.119999999999997 110.917 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 tptt -69.49 -35.26 75.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 61.439999999999998 110.93 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -58.79 -44.86 90.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 74.530000000000001 110.909 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.1 t -83.37 -34.26 25.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 61.240000000000002 110.886 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -62.35 -22.65 66.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 73.030000000000001 110.935 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.22 -21.04 46.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 72.409999999999997 110.849 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.59 -1.68 21.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 75.310000000000002 110.881 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 112.21 94.1 2.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 53.25 112.46 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -170.85 149.94 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.32 . . . . 61.140000000000001 111.138 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -84.27 -47.97 10.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 74.329999999999998 110.896 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -152.33 124.75 8.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 71.140000000000001 110.897 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.58 156.73 17.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.777 -0.725 . . . . 71.519999999999996 112.532 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.42 -174.33 4.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 64.230000000000004 110.904 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.4 m -97.59 150.42 21.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.510000000000005 110.911 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.548 HD12 ' CD2' ' A' ' 26' ' ' HIS . 3.2 tt -134.14 158.76 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 51.350000000000001 111.106 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -41.08 -61.61 0.97 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 74.040000000000006 110.915 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.51 -41.17 40.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 71.109999999999999 110.86 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.523 ' H ' HG23 ' A' ' 21' ' ' ILE . 3.0 m-20 173.45 -78.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 64.340000000000003 110.891 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -147.25 170.27 17.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 54.420000000000002 110.859 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.548 ' CD2' HD12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -167.82 154.53 7.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 65.400000000000006 110.859 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.2 m -123.12 169.18 11.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 74.340000000000003 110.893 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -136.7 120.32 17.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 73.409999999999997 110.947 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 73.230000000000004 110.907 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.799 0.333 . . . . 74.409999999999997 111.116 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.335 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 29.7 m -111.86 152.67 27.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 73.019999999999996 110.858 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.1 m -118.11 -40.94 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 64.510000000000005 111.151 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -142.35 38.97 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 71.219999999999999 110.843 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 65.68 116.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 54.310000000000002 110.877 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.85 -29.11 18.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 75.420000000000002 110.918 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -71.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 75.439999999999998 110.881 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -32.96 74.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 75.519999999999996 110.935 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -59.17 -36.71 75.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 63.229999999999997 110.934 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.14 -38.15 12.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.05 -0.523 . . . . 74.25 110.878 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -56.86 -23.26 43.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 64.019999999999996 110.95 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -78.89 -24.35 44.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.319999999999993 110.829 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.67 3.44 29.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 74.140000000000001 110.9 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.48 95.29 2.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 64.450000000000003 112.497 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -177.35 139.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.34 . . . . 62.130000000000003 111.089 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.14 -34.33 63.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 75.010000000000005 110.874 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -157.4 -179.74 8.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 65.349999999999994 110.886 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.44 162.5 27.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 63.310000000000002 112.482 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.65 179.82 5.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 61.049999999999997 110.882 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.335 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.3 m -89.62 147.77 23.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 74.239999999999995 110.872 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.537 HG23 ' H ' ' A' ' 24' ' ' ASN . 3.6 tt -134.6 158.76 41.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 64.25 111.134 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -40.41 -61.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 64.329999999999998 110.893 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.5 m -49.94 -42.45 48.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 44.409999999999997 110.878 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.537 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.7 m-20 173.0 -77.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 60.310000000000002 110.913 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.88 165.07 32.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 75.319999999999993 110.889 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -163.59 130.24 3.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 75.150000000000006 110.88 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.7 m -93.98 -179.38 4.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 73.019999999999996 110.879 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -143.27 122.64 13.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 72.5 110.938 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 64.510000000000005 110.973 -179.937 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.833 0.349 . . . . 31.140000000000001 111.107 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.332 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 82.6 m -105.26 145.92 30.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 61.25 110.886 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.1 m -118.14 -37.87 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 75.200000000000003 111.129 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -146.31 38.88 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 65.439999999999998 110.866 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 65.71 116.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 60.210000000000001 110.847 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.317 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.6 OUTLIER -51.93 -29.21 19.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 54.149999999999999 110.864 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -68.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 74.120000000000005 110.938 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -67.87 -32.62 73.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 71.5 110.888 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -60.21 -37.23 79.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 75.099999999999994 110.901 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -91.24 -39.21 12.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 75.329999999999998 110.858 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -58.45 -22.03 53.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 74.400000000000006 110.906 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -81.09 -17.66 49.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 63.229999999999997 110.872 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -114.33 4.85 15.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 74.109999999999999 110.89 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.88 93.47 2.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 62.409999999999997 112.501 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -177.77 138.55 0.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.789 0.328 . . . . 73.5 111.135 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -35.71 65.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 62.229999999999997 110.885 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -156.06 179.57 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 64.540000000000006 110.875 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.19 160.87 24.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 74.239999999999995 112.518 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.47 179.98 6.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.338 . . . . 75.219999999999999 110.885 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.332 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.6 m -89.52 148.22 23.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 51.43 110.856 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.546 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.0 tt -135.32 158.66 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 65.549999999999997 111.181 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -40.49 -61.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 72.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.15 -42.22 50.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 41.329999999999998 110.876 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.546 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.0 m-20 172.68 -77.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 62.240000000000002 110.883 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 1.317 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -148.82 164.66 33.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 74.340000000000003 110.896 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -163.08 129.0 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 70.099999999999994 110.832 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.4 m -92.87 -178.51 4.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 63.310000000000002 110.915 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -144.5 122.39 12.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 65.340000000000003 110.945 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 75.230000000000004 110.92 -179.921 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.824 0.345 . . . . 42.450000000000003 111.13 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 50.6 m -68.3 129.95 41.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 72.129999999999995 110.871 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 m -118.16 -41.09 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 64.109999999999999 111.129 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -140.4 40.02 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 73.340000000000003 110.858 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 65.89 117.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 73.430000000000007 110.852 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -52.04 -28.73 18.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.450000000000003 110.865 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 mtm-85 -57.73 -70.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 73.299999999999997 110.844 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -67.51 -31.3 71.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.329999999999998 110.928 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -60.71 -38.16 84.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 75.200000000000003 110.934 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -91.44 -37.42 13.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 61.130000000000003 110.871 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -56.94 -23.89 48.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 72.349999999999994 110.89 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -78.31 -23.32 47.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 73.019999999999996 110.857 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.62 4.86 26.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 73.400000000000006 110.911 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.01 94.88 2.38 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 60.009999999999998 112.52 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.62 139.62 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 60.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -43.96 56.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 75.239999999999995 110.836 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -143.8 173.0 12.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 54.240000000000002 110.926 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -172.26 148.38 10.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 74.319999999999993 112.512 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.46 177.85 10.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.797 0.332 . . . . 74.140000000000001 110.883 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.1 m -91.4 148.21 22.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 75.200000000000003 110.851 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.536 HG23 ' H ' ' A' ' 24' ' ' ASN . 3.8 tt -134.92 158.91 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 74.409999999999997 111.132 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -40.56 -61.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 75.400000000000006 110.855 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.97 -42.01 47.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 60.009999999999998 110.838 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.536 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.1 m-20 172.74 -77.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 64.329999999999998 110.9 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.1 165.61 31.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 71.209999999999994 110.907 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -161.2 131.54 5.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 72.239999999999995 110.849 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.3 m -97.81 178.34 5.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 74.200000000000003 110.882 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -141.36 117.95 10.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 72.439999999999998 110.899 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 62.409999999999997 110.952 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.87 0.367 . . . . 54.299999999999997 111.103 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.292 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 30.9 m -86.73 128.13 35.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 73.109999999999999 110.88 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.2 m -119.18 -40.87 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 51.340000000000003 111.151 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -141.16 39.62 1.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 72.010000000000005 110.879 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 65.84 117.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 73.340000000000003 110.867 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.97 -29.08 19.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 53.32 110.911 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -57.39 -70.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 71.400000000000006 110.89 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.36 -32.04 72.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 71.430000000000007 110.854 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -60.42 -40.46 91.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 52.100000000000001 110.94 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -88.35 -37.4 15.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 75.150000000000006 110.909 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -56.67 -24.42 48.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 74.310000000000002 110.92 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -77.68 -24.25 49.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 55.130000000000003 110.878 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.67 4.85 28.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 71.030000000000001 110.916 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.67 95.6 2.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 73.329999999999998 112.507 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.44 137.64 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 54.109999999999999 111.104 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -45.83 61.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 55.140000000000001 110.834 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -142.65 171.95 13.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 74.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.74 147.29 10.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.74 . . . . 74.430000000000007 112.497 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.425 ' HE3' ' HH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -153.86 179.49 8.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 72.540000000000006 110.92 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.292 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 0.9 OUTLIER -91.95 148.86 21.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 71.239999999999995 110.836 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.535 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.0 tt -135.06 158.86 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 60.32 111.139 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -40.31 -61.37 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 42.200000000000003 110.873 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.9 t -50.22 -42.44 51.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 63.229999999999997 110.833 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.535 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.8 m-20 173.14 -77.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 72.299999999999997 110.896 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.32 165.74 30.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 73.219999999999999 110.912 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -162.35 132.82 4.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 51.119999999999997 110.88 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.5 m -97.44 179.58 4.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 42.43 110.86 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.425 ' HH ' ' HE3' ' A' ' 19' ' ' LYS . 57.8 m-85 -143.34 118.51 10.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 75.439999999999998 110.911 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 74.230000000000004 110.902 -179.923 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.854 0.359 . . . . 61.509999999999998 111.094 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.38 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 58.5 m -52.48 132.51 35.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 51.119999999999997 110.896 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.9 m -119.67 -40.19 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 62.219999999999999 111.14 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -139.99 41.05 1.97 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 64.129999999999995 110.882 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 65.77 117.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 71.099999999999994 110.887 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.83 -28.04 21.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.230000000000004 110.853 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -57.66 -69.52 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 73.049999999999997 110.878 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.26 -32.73 72.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 72.209999999999994 110.873 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -59.41 -38.38 80.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 75.030000000000001 110.926 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -91.52 -38.22 12.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 62.409999999999997 110.9 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -57.76 -23.34 51.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 72.219999999999999 110.889 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -78.62 -23.62 45.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 65.25 110.847 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.44 2.65 26.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 71.209999999999994 110.942 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.62 94.87 2.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 61.140000000000001 112.463 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.05 149.89 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 43.450000000000003 111.08 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.18 -49.84 11.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 60.009999999999998 110.852 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -138.39 172.46 12.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 71.230000000000004 110.886 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -167.48 141.7 7.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 51.420000000000002 112.489 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.15 175.62 12.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 73.150000000000006 110.913 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.38 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 0.6 OUTLIER -90.92 143.71 26.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 71.5 110.899 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.546 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.3 tt -131.46 158.75 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 52.310000000000002 111.163 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -40.21 -61.49 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 64.019999999999996 110.909 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.7 t -50.22 -42.61 51.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 44.539999999999999 110.895 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.546 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.5 OUTLIER 173.0 -77.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 72.510000000000005 110.905 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.89 164.3 34.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 75.120000000000005 110.894 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -158.4 135.37 9.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 75.430000000000007 110.842 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.4 m -103.39 175.05 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.430000000000007 110.871 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -136.74 124.54 22.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 71.319999999999993 110.914 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 72.439999999999998 110.949 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.828 0.347 . . . . 72.25 111.102 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.286 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 31.7 m -71.09 127.28 32.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 53.049999999999997 110.877 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.8 m -117.91 -41.05 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 72.329999999999998 111.179 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -140.57 40.34 1.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 75.400000000000006 110.916 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 66.16 119.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 62.020000000000003 110.876 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.3 -28.15 17.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 55.119999999999997 110.895 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.1 mtm-85 -58.57 -71.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 64.209999999999994 110.905 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.62 -29.71 69.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 62.039999999999999 110.893 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -61.86 -39.66 92.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 71.329999999999998 110.943 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.11 -38.73 13.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 51.549999999999997 110.835 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -57.53 -24.08 54.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 61.229999999999997 110.935 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -79.1 -20.41 48.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 70.219999999999999 110.876 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -112.78 7.43 18.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 63.229999999999997 110.923 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.87 94.78 2.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 75.310000000000002 112.474 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.87 137.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 71.329999999999998 111.131 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.07 -43.24 62.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 61.240000000000002 110.925 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -145.55 173.05 12.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 72.439999999999998 110.897 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -173.39 150.39 12.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.742 . . . . 71.450000000000003 112.492 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.34 177.67 11.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 73.129999999999995 110.854 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.286 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.1 m -90.67 147.84 23.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 43.030000000000001 110.843 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.555 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.2 tt -134.7 158.55 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 71.549999999999997 111.079 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -40.78 -61.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 70.049999999999997 110.858 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.02 -42.03 48.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 71.239999999999995 110.852 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.555 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.1 m-20 172.63 -78.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 74.310000000000002 110.865 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.14 163.82 36.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 51.439999999999998 110.845 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -159.97 131.11 5.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 74.049999999999997 110.908 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.9 m -96.44 179.77 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 70.219999999999999 110.899 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -143.1 119.22 10.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 73.510000000000005 110.909 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 74.140000000000001 110.898 -179.905 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.832 0.349 . . . . 72.420000000000002 111.041 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.398 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 19.2 m -90.14 110.72 21.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 71.409999999999997 110.902 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.0 m -83.07 -35.01 11.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 43.350000000000001 111.152 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -146.88 40.01 1.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 64.140000000000001 110.887 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 65.75 116.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 74.329999999999998 110.894 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.79 -29.19 18.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 52.149999999999999 110.886 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -70.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 60.210000000000001 110.873 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -66.87 -33.56 75.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 71.530000000000001 110.872 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -59.53 -37.42 78.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 64.219999999999999 110.938 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -90.47 -36.37 14.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 70.319999999999993 110.861 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -57.47 -22.72 45.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 74.430000000000007 110.869 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.46 -22.14 44.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 75.040000000000006 110.837 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.5 3.87 23.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 72.099999999999994 110.908 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.37 94.33 2.35 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 73.140000000000001 112.497 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.15 137.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 71.099999999999994 111.079 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -70.74 -45.5 64.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 55.450000000000003 110.894 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -142.7 171.91 13.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 54.240000000000002 110.865 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.99 148.06 10.55 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 71.120000000000005 112.465 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.14 179.13 9.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.823 0.344 . . . . 73.549999999999997 110.874 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.398 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.3 m -91.75 148.61 22.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 53.009999999999998 110.943 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.532 HG23 ' H ' ' A' ' 24' ' ' ASN . 3.8 tt -134.66 158.98 41.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 52.420000000000002 111.143 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -40.41 -61.49 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 75.25 110.896 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.1 -42.33 50.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 71.150000000000006 110.876 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.532 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.6 m-20 173.2 -77.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 74.239999999999995 110.851 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.42 166.12 29.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 74.140000000000001 110.894 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.41 ' CD2' ' HH ' ' A' ' 28' ' ' TYR . 1.7 p-80 -163.18 132.03 3.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 73.319999999999993 110.855 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.5 m -96.24 179.97 4.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 74.150000000000006 110.865 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.41 ' HH ' ' CD2' ' A' ' 26' ' ' HIS . 59.1 m-85 -143.9 118.39 9.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 73.430000000000007 110.923 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 75.129999999999995 110.921 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.8 0.333 . . . . 75.239999999999995 111.116 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.396 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 20.3 m -71.94 135.19 46.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 74.030000000000001 110.875 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 m -100.74 -33.53 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 65.219999999999999 111.139 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -149.09 38.86 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 73.109999999999999 110.9 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 65.65 115.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 73.219999999999999 110.881 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.27 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.8 OUTLIER -51.71 -29.24 17.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 71.109999999999999 110.902 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.81 -70.01 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 62.310000000000002 110.917 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.5 -33.03 74.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 64.439999999999998 110.936 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -59.55 -36.75 76.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 75.319999999999993 110.931 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.08 -37.52 12.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 64.409999999999997 110.91 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -57.0 -23.41 45.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 73.219999999999999 110.945 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.9 -23.49 44.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 71.120000000000005 110.885 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.99 4.02 26.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 71.519999999999996 110.885 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.51 94.83 2.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 71.329999999999998 112.485 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.66 138.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.754 0.311 . . . . 74.409999999999997 111.093 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -72.75 -40.32 66.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 73.209999999999994 110.839 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -148.8 175.53 11.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 72.230000000000004 110.864 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -177.51 150.37 10.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.741 -0.742 . . . . 62.32 112.49 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.17 179.3 9.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.832 0.349 . . . . 74.519999999999996 110.944 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.396 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.3 m -91.39 146.92 23.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 71.519999999999996 110.882 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.464 HG23 ' H ' ' A' ' 24' ' ' ASN . 2.5 tt -133.46 160.14 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 71.209999999999994 111.139 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -40.91 -61.71 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 42.200000000000003 110.881 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -50.0 -41.59 47.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 75.010000000000005 110.857 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.464 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.0 m-20 172.19 -77.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 64.439999999999998 110.873 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 1.27 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -149.15 167.33 26.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 73.049999999999997 110.894 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -164.19 128.92 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 72.219999999999999 110.829 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 13.0 m -92.75 -178.8 4.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 70.349999999999994 110.87 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -145.08 119.83 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 74.239999999999995 110.931 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 63.109999999999999 110.91 -179.893 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.822 0.344 . . . . 71.019999999999996 111.093 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.41 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 36.3 m -97.52 -69.8 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 74.450000000000003 110.898 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.7 m -152.05 -41.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 62.039999999999999 111.137 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -166.95 35.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 51.340000000000003 110.842 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 65.39 114.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.129999999999995 110.89 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.352 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER -52.72 -27.78 19.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 64.010000000000005 110.897 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -63.91 1.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 65.349999999999994 110.874 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.71 -34.97 72.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 54.32 110.892 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -60.21 -43.05 96.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 70.030000000000001 110.912 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -84.65 -37.29 21.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 74.420000000000002 110.911 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -52.98 -33.94 53.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 64.010000000000005 110.877 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -66.46 -50.49 63.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 63.009999999999998 110.862 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -8.15 54.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 73.409999999999997 110.883 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.78 98.3 2.21 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.671 -0.776 . . . . 65.450000000000003 112.462 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -179.18 139.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.75 0.309 . . . . 65.140000000000001 111.131 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.55 -36.92 71.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 70.340000000000003 110.853 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.42 ' ND2' ' H ' ' A' ' 18' ' ' GLY . 3.8 t30 -153.14 178.51 9.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 61.100000000000001 110.861 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.42 ' H ' ' ND2' ' A' ' 17' ' ' ASN . . . 177.49 161.94 26.8 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 61.329999999999998 112.487 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.36 179.72 6.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 64.030000000000001 110.916 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.41 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 2.5 m -90.45 146.82 23.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 71.030000000000001 110.886 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.461 HG23 ' H ' ' A' ' 24' ' ' ASN . 2.6 tt -133.81 159.99 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 73.239999999999995 111.122 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -40.87 -61.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 75.420000000000002 110.896 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.8 m -49.74 -41.82 44.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 52.100000000000001 110.878 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.461 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.5 OUTLIER 172.42 -77.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 70.109999999999999 110.902 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 1.352 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -149.13 166.53 28.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 64.010000000000005 110.886 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -164.49 128.32 2.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 72.129999999999995 110.863 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.4 m -91.37 -178.1 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 75.5 110.902 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -145.67 122.24 11.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 70.150000000000006 110.916 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 71.219999999999999 110.967 -179.922 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.814 0.34 . . . . 64.319999999999993 111.107 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.329 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 22.2 m -139.05 153.55 48.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 42.210000000000001 110.883 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.7 m -116.03 -39.62 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 61.140000000000001 111.142 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -143.15 39.18 1.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 71.439999999999998 110.876 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 65.85 117.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 55.229999999999997 110.868 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.49 -28.21 19.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.219999999999999 110.886 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -57.93 -70.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 73.329999999999998 110.883 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -67.78 -31.4 71.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 74.400000000000006 110.854 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -60.25 -39.09 85.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 74.510000000000005 110.943 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -90.88 -39.0 12.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 53.539999999999999 110.895 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -57.85 -23.34 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 53.229999999999997 110.907 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -79.74 -19.54 48.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 72.540000000000006 110.863 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -112.96 5.8 17.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 70.319999999999993 110.902 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.63 94.7 2.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.737 . . . . 75.510000000000005 112.481 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.65 138.24 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.762 0.315 . . . . 52.100000000000001 111.118 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.47 -39.65 64.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 73.25 110.873 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -150.32 175.32 11.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 63.399999999999999 110.855 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' A' ' 27' ' ' CYS . . . -176.65 151.21 11.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 43.539999999999999 112.483 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.96 178.47 10.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 54.539999999999999 110.933 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.329 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.2 m -90.6 146.98 23.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 65.099999999999994 110.874 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.558 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.2 tt -133.99 158.39 42.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 75.430000000000007 111.074 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -40.56 -61.39 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 73.140000000000001 110.88 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.01 -42.31 48.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 74.400000000000006 110.833 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.558 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.7 m-80 172.94 -78.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 72.549999999999997 110.903 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.09 163.93 36.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 64.510000000000005 110.887 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -160.31 129.6 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 72.409999999999997 110.85 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.4 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 11.6 m -94.43 -179.58 4.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 70.310000000000002 110.905 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -143.88 120.68 11.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 51.399999999999999 110.891 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 73.049999999999997 110.905 -179.928 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.832 0.349 . . . . 41.240000000000002 111.081 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.378 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 35.9 m -60.82 125.73 24.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 64.329999999999998 110.894 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.5 m -97.16 -33.58 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 73.239999999999995 111.13 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -149.62 39.47 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 72.420000000000002 110.921 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 65.82 116.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 71.430000000000007 110.894 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -51.98 -28.71 17.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 52.210000000000001 110.869 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.78 -71.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 73.219999999999999 110.875 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.48 -32.98 74.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.519999999999996 110.914 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -59.19 -38.46 79.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 71.530000000000001 110.89 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -90.31 -38.11 13.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 75.439999999999998 110.877 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -57.73 -23.58 52.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 64.530000000000001 110.93 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -79.6 -20.1 47.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 72.25 110.854 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.86 6.74 18.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 74.120000000000005 110.844 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.02 94.84 2.36 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 50.32 112.511 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.61 135.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 54.119999999999997 111.095 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.2 -46.25 64.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 74.319999999999993 110.927 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -142.67 171.24 14.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 73.25 110.914 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -170.79 151.4 15.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 61.43 112.482 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.96 177.96 10.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.767 0.317 . . . . 73.420000000000002 110.926 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.378 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.3 m -91.8 148.2 22.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 75.239999999999995 110.9 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.463 HG23 ' H ' ' A' ' 24' ' ' ASN . 2.6 tt -134.01 160.11 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 65.540000000000006 111.102 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.85 -61.6 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 54.130000000000003 110.907 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.03 -41.81 48.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 33.109999999999999 110.858 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.463 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.4 OUTLIER 172.59 -77.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 42.530000000000001 110.861 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.68 167.55 25.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 64.329999999999998 110.897 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -164.81 132.14 3.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 75.319999999999993 110.9 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 15.4 m -96.25 -179.69 4.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 51.539999999999999 110.905 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -144.15 118.54 9.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 70.239999999999995 110.952 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 73.540000000000006 110.943 -179.914 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.808 0.337 . . . . 65.530000000000001 111.109 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.295 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 19.7 m -82.32 133.33 35.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 53.130000000000003 110.925 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.1 m -122.21 -35.38 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 64.230000000000004 111.146 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -146.76 39.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 74.310000000000002 110.895 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 65.7 116.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 50.340000000000003 110.908 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.267 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER -50.92 -30.69 15.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 71.310000000000002 110.858 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.14 -70.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 62.539999999999999 110.862 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -32.84 74.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 65.040000000000006 110.92 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -60.16 -34.88 74.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 72.310000000000002 110.929 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.56 -34.58 13.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 72.349999999999994 110.899 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -62.39 -23.51 66.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 72.200000000000003 110.932 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -81.88 -12.33 58.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 50.109999999999999 110.911 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -120.68 5.83 10.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 72.349999999999994 110.906 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.12 91.82 2.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 32.329999999999998 112.481 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.61 139.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 73.340000000000003 111.072 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.09 -48.23 31.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 62.219999999999999 110.868 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -140.08 170.74 15.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 72.409999999999997 110.864 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.08 147.24 10.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 74.319999999999993 112.486 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.17 176.17 12.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 62.200000000000003 110.918 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.295 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.2 m -90.65 145.81 24.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 70.230000000000004 110.884 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.56 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.4 tt -133.07 158.37 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.109999999999999 111.127 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -40.53 -61.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 72.239999999999995 110.858 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.96 -42.4 48.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 72.430000000000007 110.866 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.56 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.5 m-20 173.01 -78.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 72.219999999999999 110.908 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 1.267 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -149.16 163.34 37.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 73.209999999999994 110.863 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -158.53 133.36 8.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 75.510000000000005 110.864 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.8 m -99.79 177.7 5.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 73.319999999999993 110.885 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -140.77 118.16 11.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 64.140000000000001 110.959 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 54.340000000000003 110.954 -179.905 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.845 0.355 . . . . 63.109999999999999 111.085 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.294 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 20.7 m -70.65 130.51 41.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 51.25 110.841 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.0 m -117.96 -41.06 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 63.530000000000001 111.113 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -140.55 40.52 1.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 62.130000000000003 110.91 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 65.68 116.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 71.519999999999996 110.915 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.34 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.8 OUTLIER -51.3 -30.27 17.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 43.130000000000003 110.89 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.49 -69.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 75.129999999999995 110.877 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -67.4 -32.96 74.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 75.340000000000003 110.913 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -59.87 -35.73 75.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 75.340000000000003 110.906 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.11 -35.22 13.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 71.420000000000002 110.881 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -62.87 -23.1 67.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 71.349999999999994 110.903 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.32 -11.72 58.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 71.230000000000004 110.857 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -120.76 4.46 10.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 64.310000000000002 110.872 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.03 91.24 2.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 52.149999999999999 112.465 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.63 143.86 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.755 0.312 . . . . 45.32 111.122 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -76.99 -50.07 13.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.239999999999995 110.9 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -138.01 170.54 15.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 74.420000000000002 110.919 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 27' ' ' CYS . . . -167.89 145.37 9.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.733 . . . . 75.319999999999993 112.517 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.27 175.8 12.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 73.540000000000006 110.883 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.294 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -90.56 144.84 25.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 72.209999999999994 110.892 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.563 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.6 tt -132.49 158.3 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 74.209999999999994 111.128 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -40.42 -61.38 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 71.209999999999994 110.876 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -50.1 -42.53 50.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 72.510000000000005 110.854 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.563 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.7 m-80 172.96 -78.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 73.109999999999999 110.935 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 1.34 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -149.08 162.92 38.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 71.140000000000001 110.91 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -157.63 134.65 10.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 74.239999999999995 110.828 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.401 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 17.6 m -101.89 176.26 5.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 75.150000000000006 110.94 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -138.95 118.04 12.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 74.430000000000007 110.917 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 75.340000000000003 110.94 -179.909 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.898 0.38 . . . . 64.540000000000006 111.063 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.292 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 19.3 m -96.13 133.23 40.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 71.040000000000006 110.84 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.2 m -123.03 -35.52 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 75.140000000000001 111.136 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -145.9 40.3 1.16 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 62.350000000000001 110.85 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 65.71 116.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 75.310000000000002 110.881 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.269 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.8 OUTLIER -50.86 -30.81 15.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 62.140000000000001 110.906 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.27 -69.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 71.200000000000003 110.905 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.47 -32.57 74.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 74.340000000000003 110.914 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -60.43 -34.99 74.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 65.109999999999999 110.929 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.61 -34.12 13.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 63.030000000000001 110.935 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -63.0 -23.47 67.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 72.430000000000007 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.21 -11.75 58.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 42.210000000000001 110.868 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -121.02 5.39 10.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 74.439999999999998 110.942 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.75 91.47 2.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 74.310000000000002 112.485 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.52 140.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.32 . . . . 62.399999999999999 111.126 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.71 -48.8 23.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 74.409999999999997 110.843 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -139.38 170.68 15.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 64.209999999999994 110.904 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.92 146.9 10.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.708 -0.758 . . . . 61.210000000000001 112.488 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.01 176.04 12.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 45.210000000000001 110.902 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.292 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.1 m -90.55 145.63 24.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 53.439999999999998 110.893 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.561 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.4 tt -132.97 158.35 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 64.340000000000003 111.137 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -40.53 -61.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 71.310000000000002 110.903 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.95 -42.39 48.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 74.209999999999994 110.837 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.561 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.7 m-20 173.0 -78.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 70.209999999999994 110.861 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 1.269 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -149.28 163.27 38.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 51.43 110.895 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -158.35 133.63 8.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 74.420000000000002 110.852 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 17.7 m -100.31 177.28 5.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 74.540000000000006 110.914 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -140.25 118.04 11.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 74.150000000000006 110.91 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 73.329999999999998 110.889 -179.902 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.814 0.34 . . . . 71.140000000000001 111.101 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.442 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 25.1 m -99.84 141.77 32.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 75.400000000000006 110.908 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.403 HG23 ' HG2' ' A' ' 4' ' ' GLU . 27.1 m -122.18 -35.38 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 63.43 111.145 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.403 ' HG2' HG23 ' A' ' 3' ' ' VAL . 26.5 pt-20 -149.4 38.18 0.78 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 71.150000000000006 110.917 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 65.48 115.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 72.340000000000003 110.872 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.185 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER -51.38 -29.88 17.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 72.329999999999998 110.897 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.96 -69.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.510000000000005 110.84 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -66.54 -35.33 79.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 75.219999999999999 110.882 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -58.23 -33.33 69.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 72.400000000000006 110.925 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -94.79 -34.09 12.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 53.149999999999999 110.835 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -65.37 -20.21 66.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.310000000000002 110.885 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.13 -10.32 56.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 63.149999999999999 110.905 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -118.85 -1.65 11.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.120000000000005 110.901 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.18 89.08 1.59 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 52.5 112.485 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.36 145.31 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 73.010000000000005 111.068 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.4 mtt-85 -77.29 -44.84 28.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 73.310000000000002 110.869 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -145.56 178.81 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 61.039999999999999 110.858 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.402 ' HA2' ' HA ' ' A' ' 27' ' ' CYS . . . 176.87 151.53 9.08 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 63.049999999999997 112.476 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.66 -178.89 6.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.352 . . . . 74.019999999999996 110.904 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.442 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.7 m -90.78 143.26 26.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 73.430000000000007 110.837 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.58 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.7 tt -132.33 157.94 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 63.100000000000001 111.148 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -40.54 -61.18 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.209999999999994 110.882 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 t -50.05 -42.63 50.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 63.5 110.865 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.58 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.5 m-20 172.75 -78.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 73.040000000000006 110.923 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 1.185 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -148.53 163.15 38.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 71.030000000000001 110.889 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -157.56 129.97 7.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 72.040000000000006 110.84 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.402 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 19.2 m -96.36 178.22 5.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 33.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -140.88 121.05 13.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 75.400000000000006 110.955 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 74.450000000000003 110.899 -179.863 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.86 0.362 . . . . 63.0 111.099 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.289 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 26.4 m -68.39 127.54 33.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 74.340000000000003 110.877 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.6 m -118.23 -41.13 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 42.149999999999999 111.11 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -139.81 41.18 2.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 52.32 110.864 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 65.66 116.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 73.340000000000003 110.874 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.402 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 1.0 OUTLIER -51.53 -29.93 18.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 63.009999999999998 110.865 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -70.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 70.010000000000005 110.88 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -34.15 76.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.349999999999994 110.871 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -58.24 -36.31 73.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 75.129999999999995 110.935 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -92.09 -40.13 11.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 74.040000000000006 110.883 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -55.64 -29.99 60.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 64.040000000000006 110.904 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.85 -25.16 62.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 70.209999999999994 110.873 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.22 5.64 25.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.340000000000003 110.878 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . 105.61 100.8 2.66 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.772 -0.727 . . . . 63.219999999999999 112.493 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 177.65 143.38 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 65.310000000000002 111.117 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -42.01 61.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 74.430000000000007 110.877 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -150.58 174.62 12.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 74.209999999999994 110.887 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.27 143.5 8.18 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.778 -0.725 . . . . 72.450000000000003 112.505 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.01 176.11 12.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.329 . . . . 73.140000000000001 110.887 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.289 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -90.77 142.96 27.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 72.040000000000006 110.892 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.559 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.5 tt -131.04 158.38 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 75.540000000000006 111.163 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -40.23 -61.56 0.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 71.510000000000005 110.865 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.07 -42.74 50.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 60.43 110.834 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.559 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.8 m-20 172.9 -78.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 73.209999999999994 110.932 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 1.402 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -148.78 163.62 36.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 41.450000000000003 110.846 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -158.11 135.85 10.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 63.399999999999999 110.882 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 30.3 m -102.57 175.63 5.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 73.120000000000005 110.898 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -138.57 134.24 33.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 65.25 110.94 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.494 . . . . 74.230000000000004 110.947 -179.92 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.802 0.334 . . . . 74.439999999999998 111.116 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.3 m 50.47 87.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 65.150000000000006 110.883 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.1 m -51.5 -32.91 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 64.219999999999999 111.142 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -159.62 40.02 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 72.340000000000003 110.869 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 65.26 114.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 51.329999999999998 110.907 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.087 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 1.3 m -52.43 -27.98 18.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.340000000000003 110.899 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.13 -62.14 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 72.120000000000005 110.905 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.66 -34.75 67.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 75.049999999999997 110.883 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -60.07 -35.19 74.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 71.430000000000007 110.913 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -93.11 -29.23 15.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 75.530000000000001 110.852 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -69.88 -23.09 63.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 71.310000000000002 110.912 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.14 -7.66 59.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 73.219999999999999 110.858 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -120.88 -7.58 9.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.329999999999998 110.858 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 118.15 90.53 1.41 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.793 -0.718 . . . . 74.030000000000001 112.543 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.33 143.53 0.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.82 0.343 . . . . 64.209999999999994 111.109 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -51.69 21.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 72.049999999999997 110.862 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -139.56 170.11 16.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 70.540000000000006 110.867 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 27' ' ' CYS . . . -166.72 145.65 10.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 73.209999999999994 112.486 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.86 174.81 13.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 63.439999999999998 110.871 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 m -90.15 142.87 27.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 62.329999999999998 110.889 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.576 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.7 tt -130.95 158.0 43.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 52.439999999999998 111.149 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -40.59 -61.22 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 74.129999999999995 110.873 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.02 -42.49 49.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 65.209999999999994 110.907 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.576 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.5 m-20 172.77 -78.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 61.100000000000001 110.914 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 1.087 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -148.89 162.05 40.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 61.240000000000002 110.87 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -156.84 135.32 11.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 75.430000000000007 110.871 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.404 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 12.0 m -103.68 175.13 5.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 53.350000000000001 110.829 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -137.62 119.3 15.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 74.120000000000005 110.931 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 72.329999999999998 110.943 -179.931 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.854 0.359 . . . . 45.539999999999999 111.093 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 14.4 m -78.6 112.07 15.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 43.310000000000002 110.866 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.6 m -50.89 -31.91 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 65.329999999999998 111.084 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -171.45 -165.25 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 74.019999999999996 110.871 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -77.25 114.27 15.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 72.420000000000002 110.83 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.237 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER -50.54 -28.24 8.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 65.019999999999996 110.926 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -65.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 72.5 110.852 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.91 -39.04 92.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 62.140000000000001 110.921 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -59.13 -52.47 65.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 64.129999999999995 110.952 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.1 t -74.36 -22.99 58.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 73.239999999999995 110.856 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -67.58 -31.48 71.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 63.509999999999998 110.868 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.21 -49.04 54.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 62.130000000000003 110.902 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -71.7 -14.42 62.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 75.239999999999995 110.861 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.91 96.23 1.49 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 44.229999999999997 112.449 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.31 139.06 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 54.310000000000002 111.064 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -70.62 -41.41 72.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 73.329999999999998 110.833 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.401 ' ND2' ' H ' ' A' ' 18' ' ' GLY . 4.1 t30 -148.99 177.09 9.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 72.150000000000006 110.858 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.401 ' H ' ' ND2' ' A' ' 17' ' ' ASN . . . 175.55 157.31 16.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 63.009999999999998 112.452 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.72 178.56 10.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.893 0.377 . . . . 72.549999999999997 110.874 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -88.93 144.12 26.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 75.140000000000001 110.864 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.557 HG23 ' H ' ' A' ' 24' ' ' ASN . 3.9 tt -131.37 158.35 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 72.140000000000001 111.149 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -40.93 -61.81 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 62.340000000000003 110.916 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.51 -41.68 41.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 54.450000000000003 110.875 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.557 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.5 OUTLIER 172.87 -78.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 74.329999999999998 110.848 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 1.237 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -150.12 162.58 40.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 73.420000000000002 110.921 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.429 ' CD2' ' HH ' ' A' ' 28' ' ' TYR . 2.5 p-80 -159.04 128.22 5.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 72.319999999999993 110.842 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.6 m -94.12 -179.67 5.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 72.409999999999997 110.882 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.429 ' HH ' ' CD2' ' A' ' 26' ' ' HIS . 58.0 m-85 -143.43 121.04 11.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 71.049999999999997 110.955 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 75.430000000000007 110.901 -179.881 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.832 0.349 . . . . 74.140000000000001 111.062 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.272 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 19.0 m -74.8 132.59 41.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 63.329999999999998 110.902 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.5 m -108.57 -31.49 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 63.420000000000002 111.127 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -150.83 40.07 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 61.229999999999997 110.888 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 65.82 117.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 73.319999999999993 110.924 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.96 -26.66 26.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.010000000000005 110.909 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.63 -67.77 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 74.209999999999994 110.887 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.52 -35.18 75.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 71.010000000000005 110.87 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -58.89 -45.07 91.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 75.019999999999996 110.893 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.1 t -83.09 -34.18 26.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 62.149999999999999 110.839 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -62.35 -22.71 66.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 72.329999999999998 110.909 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -79.22 -20.97 46.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 64.409999999999997 110.908 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.54 -1.67 21.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 53.340000000000003 110.875 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 112.1 94.12 2.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 63.329999999999998 112.445 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -170.78 149.99 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 54.399999999999999 111.109 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.35 -47.96 10.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 72.430000000000007 110.894 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -152.31 124.83 8.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 61.450000000000003 110.856 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.6 156.7 17.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 72.310000000000002 112.519 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HE2' ' HH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -158.4 -174.34 4.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.898 0.38 . . . . 72.349999999999994 110.868 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.272 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.3 m -97.55 150.4 21.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 43.409999999999997 110.861 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.549 HD12 ' CD2' ' A' ' 26' ' ' HIS . 3.2 tt -134.08 158.74 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 64.439999999999998 111.134 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -41.13 -61.57 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 70.140000000000001 110.864 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m -49.54 -41.17 40.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 70.010000000000005 110.842 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.524 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.6 OUTLIER 173.48 -79.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 64.310000000000002 110.89 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -147.23 170.28 17.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 55.119999999999997 110.858 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.549 ' CD2' HD12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -167.79 154.53 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 74.430000000000007 110.821 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.1 m -123.1 169.23 11.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 75.140000000000001 110.875 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.418 ' HH ' ' HE2' ' A' ' 19' ' ' LYS . 38.9 m-85 -136.74 120.27 17.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 63.520000000000003 110.921 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.498 . . . . 72.530000000000001 110.91 -179.906 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.849 0.356 . . . . 43.210000000000001 111.066 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 19.4 m -107.36 122.17 46.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 64.129999999999995 110.886 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.5 m -92.65 -30.63 4.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 73.230000000000004 111.102 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -151.82 39.98 0.64 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 75.120000000000005 110.864 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 65.82 117.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 72.129999999999995 110.903 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.95 -26.64 26.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 51.119999999999997 110.919 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.55 -67.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 51.119999999999997 110.917 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 tptt -69.49 -35.26 75.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 61.439999999999998 110.93 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -58.79 -44.86 90.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 74.530000000000001 110.909 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.1 t -83.37 -34.26 25.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 61.240000000000002 110.886 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -62.35 -22.65 66.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 73.030000000000001 110.935 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.22 -21.04 46.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 72.409999999999997 110.849 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.59 -1.68 21.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 75.310000000000002 110.881 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 112.21 94.1 2.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 53.25 112.46 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -170.85 149.94 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.32 . . . . 61.140000000000001 111.138 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -84.27 -47.97 10.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 74.329999999999998 110.896 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -152.33 124.75 8.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 71.140000000000001 110.897 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.58 156.73 17.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.777 -0.725 . . . . 71.519999999999996 112.532 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.42 -174.33 4.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 64.230000000000004 110.904 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.4 m -97.59 150.42 21.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.510000000000005 110.911 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.548 HD12 ' CD2' ' A' ' 26' ' ' HIS . 3.2 tt -134.14 158.76 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 51.350000000000001 111.106 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -41.08 -61.61 0.97 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 74.040000000000006 110.915 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.51 -41.17 40.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 71.109999999999999 110.86 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.523 ' H ' HG23 ' A' ' 21' ' ' ILE . 3.0 m-20 173.45 -78.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 64.340000000000003 110.891 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -147.25 170.27 17.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 54.420000000000002 110.859 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.548 ' CD2' HD12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -167.82 154.53 7.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 65.400000000000006 110.859 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.2 m -123.12 169.18 11.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 74.340000000000003 110.893 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -136.7 120.32 17.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 73.409999999999997 110.947 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 73.230000000000004 110.907 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.913 0.387 . . . . 54.31 110.877 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.85 -29.11 18.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 75.42 110.918 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -71.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 75.44 110.881 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -32.96 74.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 75.52 110.935 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -59.17 -36.71 75.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 63.23 110.934 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.14 -38.15 12.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.05 -0.523 . . . . 74.25 110.878 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -56.86 -23.26 43.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 64.02 110.95 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -78.89 -24.35 44.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.829 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.67 3.44 29.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 74.14 110.9 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.48 95.29 2.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 64.45 112.497 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -177.35 139.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.34 . . . . 62.13 111.089 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.14 -34.33 63.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 75.01 110.874 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -157.4 -179.74 8.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 65.35 110.886 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.44 162.5 27.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 63.31 112.482 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.65 179.82 5.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 61.05 110.882 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -89.62 147.77 23.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 74.24 110.872 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.537 HG23 ' H ' ' A' ' 24' ' ' ASN . 3.6 tt -134.6 158.76 41.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 64.25 111.134 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -40.41 -61.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 64.33 110.893 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.5 m -49.94 -42.45 48.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 44.41 110.878 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.537 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.5 OUTLIER 173.0 -77.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 60.31 110.913 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.88 165.07 32.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 75.32 110.889 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -163.59 130.24 3.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 75.15 110.88 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.7 m -93.98 -179.38 4.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 73.02 110.879 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -143.27 122.64 13.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 72.5 110.938 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 64.51 110.973 -179.937 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.87 0.367 . . . . 60.21 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.317 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.6 OUTLIER -51.93 -29.21 19.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 54.15 110.864 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -68.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 74.12 110.938 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -67.87 -32.62 73.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 71.5 110.888 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -60.21 -37.23 79.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 75.1 110.901 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -91.24 -39.21 12.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 75.33 110.858 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -58.45 -22.03 53.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 74.4 110.906 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -81.09 -17.66 49.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 63.23 110.872 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -114.33 4.85 15.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.89 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.88 93.47 2.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 62.41 112.501 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -177.77 138.55 0.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.789 0.328 . . . . 73.5 111.135 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -35.71 65.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 62.23 110.885 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.441 ' ND2' ' H ' ' A' ' 18' ' ' GLY . 3.4 t30 -156.06 179.57 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 64.54 110.875 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.441 ' H ' ' ND2' ' A' ' 17' ' ' ASN . . . 177.19 160.87 24.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 74.24 112.518 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.47 179.98 6.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.338 . . . . 75.22 110.885 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.6 m -89.52 148.22 23.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 51.43 110.856 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.546 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.0 tt -135.32 158.66 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 65.55 111.181 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -40.49 -61.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 72.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.15 -42.22 50.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 41.33 110.876 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.546 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.0 m-20 172.68 -77.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 62.24 110.883 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 1.317 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -148.82 164.66 33.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.896 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -163.08 129.0 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 70.1 110.832 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.4 m -92.87 -178.51 4.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 63.31 110.915 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -144.5 122.39 12.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 65.34 110.945 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 75.23 110.92 -179.921 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.857 0.36 . . . . 73.43 110.852 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -52.04 -28.73 18.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.45 110.865 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 mtm-85 -57.73 -70.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 73.3 110.844 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -67.51 -31.3 71.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.928 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -60.71 -38.16 84.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 75.2 110.934 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -91.44 -37.42 13.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 61.13 110.871 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -56.94 -23.89 48.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 72.35 110.89 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -78.31 -23.32 47.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 73.02 110.857 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.62 4.86 26.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 73.4 110.911 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.01 94.88 2.38 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 60.01 112.52 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.62 139.62 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 60.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -43.96 56.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 75.24 110.836 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -143.8 173.0 12.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 54.24 110.926 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -172.26 148.38 10.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 74.32 112.512 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.46 177.85 10.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.797 0.332 . . . . 74.14 110.883 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -91.4 148.21 22.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 75.2 110.851 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.536 HG23 ' H ' ' A' ' 24' ' ' ASN . 3.8 tt -134.92 158.91 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 74.41 111.132 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -40.56 -61.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 75.4 110.855 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.97 -42.01 47.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 60.01 110.838 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.536 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.1 m-20 172.74 -77.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 64.33 110.9 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.1 165.61 31.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 71.21 110.907 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -161.2 131.54 5.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 72.24 110.849 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.3 m -97.81 178.34 5.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 74.2 110.882 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -141.36 117.95 10.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.899 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 62.41 110.952 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.876 0.37 . . . . 73.34 110.867 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.97 -29.08 19.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 53.32 110.911 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -57.39 -70.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 71.4 110.89 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.36 -32.04 72.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 71.43 110.854 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -60.42 -40.46 91.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 52.1 110.94 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -88.35 -37.4 15.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 75.15 110.909 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -56.67 -24.42 48.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.92 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -77.68 -24.25 49.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 55.13 110.878 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.67 4.85 28.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 71.03 110.916 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.67 95.6 2.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 73.33 112.507 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.44 137.64 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 54.11 111.104 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -45.83 61.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 55.14 110.834 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -142.65 171.95 13.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 74.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.74 147.29 10.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.74 . . . . 74.43 112.497 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.425 ' HE3' ' HH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -153.86 179.49 8.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 72.54 110.92 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -91.95 148.86 21.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 71.24 110.836 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.535 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.0 tt -135.06 158.86 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 60.32 111.139 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -40.31 -61.37 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 42.2 110.873 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.9 t -50.22 -42.44 51.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 63.23 110.833 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.535 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.8 m-20 173.14 -77.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 72.3 110.896 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.32 165.74 30.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.912 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -162.35 132.82 4.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 51.12 110.88 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.5 m -97.44 179.58 4.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 42.43 110.86 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.425 ' HH ' ' HE3' ' A' ' 19' ' ' LYS . 57.8 m-85 -143.34 118.51 10.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 75.44 110.911 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 74.23 110.902 -179.923 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.889 0.376 . . . . 71.1 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.83 -28.04 21.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.23 110.853 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -57.66 -69.52 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 73.05 110.878 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.26 -32.73 72.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 72.21 110.873 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -59.41 -38.38 80.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 75.03 110.926 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -91.52 -38.22 12.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 62.41 110.9 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -57.76 -23.34 51.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 72.22 110.889 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -78.62 -23.62 45.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 65.25 110.847 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.44 2.65 26.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 71.21 110.942 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.62 94.87 2.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 61.14 112.463 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.05 149.89 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 43.45 111.08 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.18 -49.84 11.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 60.01 110.852 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -138.39 172.46 12.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 71.23 110.886 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -167.48 141.7 7.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 51.42 112.489 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.15 175.62 12.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 73.15 110.913 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -90.92 143.71 26.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 71.5 110.899 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.546 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.3 tt -131.46 158.75 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 52.31 111.163 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -40.21 -61.49 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 64.02 110.909 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.7 t -50.22 -42.61 51.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 44.54 110.895 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.546 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.5 OUTLIER 173.0 -77.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 72.51 110.905 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.89 164.3 34.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 75.12 110.894 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -158.4 135.37 9.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 75.43 110.842 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.4 m -103.39 175.05 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.871 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -136.74 124.54 22.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 71.32 110.914 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 72.44 110.949 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.862 0.363 . . . . 62.02 110.876 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.3 -28.15 17.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 55.12 110.895 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.1 mtm-85 -58.57 -71.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 64.21 110.905 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.62 -29.71 69.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 62.04 110.893 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -61.86 -39.66 92.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 71.33 110.943 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.11 -38.73 13.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 51.55 110.835 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -57.53 -24.08 54.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 61.23 110.935 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -79.1 -20.41 48.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 70.22 110.876 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -112.78 7.43 18.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 63.23 110.923 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.87 94.78 2.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 75.31 112.474 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.87 137.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 71.33 111.131 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.07 -43.24 62.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 61.24 110.925 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -145.55 173.05 12.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 72.44 110.897 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -173.39 150.39 12.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.742 . . . . 71.45 112.492 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.34 177.67 11.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 73.13 110.854 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -90.67 147.84 23.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 43.03 110.843 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.555 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.2 tt -134.7 158.55 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 71.55 111.079 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -40.78 -61.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 70.05 110.858 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.02 -42.03 48.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 71.24 110.852 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.555 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.1 m-20 172.63 -78.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.865 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.14 163.82 36.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 51.44 110.845 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -159.97 131.11 5.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 74.05 110.908 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.9 m -96.44 179.77 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 70.22 110.899 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -143.1 119.22 10.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 73.51 110.909 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 74.14 110.898 -179.905 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.859 0.362 . . . . 74.33 110.894 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.79 -29.19 18.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 52.15 110.886 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -70.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 60.21 110.873 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -66.87 -33.56 75.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 71.53 110.872 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -59.53 -37.42 78.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 64.22 110.938 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -90.47 -36.37 14.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 70.32 110.861 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -57.47 -22.72 45.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.869 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.46 -22.14 44.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 75.04 110.837 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.5 3.87 23.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 72.1 110.908 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.37 94.33 2.35 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 73.14 112.497 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.15 137.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 71.1 111.079 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -70.74 -45.5 64.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 55.45 110.894 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -142.7 171.91 13.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 54.24 110.865 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.99 148.06 10.55 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 71.12 112.465 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.14 179.13 9.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.823 0.344 . . . . 73.55 110.874 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -91.75 148.61 22.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 53.01 110.943 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.532 HG23 ' H ' ' A' ' 24' ' ' ASN . 3.8 tt -134.66 158.98 41.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 52.42 111.143 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -40.41 -61.49 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 75.25 110.896 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.1 -42.33 50.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 71.15 110.876 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.532 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.6 m-20 173.2 -77.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 74.24 110.851 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.42 166.12 29.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 74.14 110.894 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.41 ' CD2' ' HH ' ' A' ' 28' ' ' TYR . 1.7 p-80 -163.18 132.03 3.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 73.32 110.855 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.5 m -96.24 179.97 4.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 74.15 110.865 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.41 ' HH ' ' CD2' ' A' ' 26' ' ' HIS . 59.1 m-85 -143.9 118.39 9.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 73.43 110.923 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 75.13 110.921 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.871 0.367 . . . . 73.22 110.881 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.27 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.8 OUTLIER -51.71 -29.24 17.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 71.11 110.902 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.81 -70.01 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 62.31 110.917 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.5 -33.03 74.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 64.44 110.936 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -59.55 -36.75 76.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.931 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.08 -37.52 12.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 64.41 110.91 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -57.0 -23.41 45.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 73.22 110.945 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.9 -23.49 44.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 71.12 110.885 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.99 4.02 26.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 71.52 110.885 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.51 94.83 2.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 71.33 112.485 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.66 138.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.754 0.311 . . . . 74.41 111.093 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -72.75 -40.32 66.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 73.21 110.839 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -148.8 175.53 11.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.864 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -177.51 150.37 10.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.741 -0.742 . . . . 62.32 112.49 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.17 179.3 9.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.832 0.349 . . . . 74.52 110.944 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -91.39 146.92 23.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 71.52 110.882 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.464 HG23 ' H ' ' A' ' 24' ' ' ASN . 2.5 tt -133.46 160.14 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 71.21 111.139 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -40.91 -61.71 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 42.2 110.881 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -50.0 -41.59 47.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 75.01 110.857 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.464 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.0 m-20 172.19 -77.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 64.44 110.873 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 1.27 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -149.15 167.33 26.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 73.05 110.894 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -164.19 128.92 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 72.22 110.829 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 13.0 m -92.75 -178.8 4.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 70.35 110.87 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -145.08 119.83 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 74.24 110.931 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 63.11 110.91 -179.893 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.877 0.37 . . . . 72.13 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.352 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER -52.72 -27.78 19.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 64.01 110.897 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -63.91 1.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 65.35 110.874 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.71 -34.97 72.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 54.32 110.892 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -60.21 -43.05 96.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 70.03 110.912 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -84.65 -37.29 21.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 74.42 110.911 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -52.98 -33.94 53.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 64.01 110.877 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -66.46 -50.49 63.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 63.01 110.862 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -8.15 54.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.883 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.78 98.3 2.21 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.671 -0.776 . . . . 65.45 112.462 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -179.18 139.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.75 0.309 . . . . 65.14 111.131 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.55 -36.92 71.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 70.34 110.853 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.42 ' ND2' ' H ' ' A' ' 18' ' ' GLY . 3.8 t30 -153.14 178.51 9.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 61.1 110.861 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.42 ' H ' ' ND2' ' A' ' 17' ' ' ASN . . . 177.49 161.94 26.8 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 61.33 112.487 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.36 179.72 6.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 64.03 110.916 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.5 m -90.45 146.82 23.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 71.03 110.886 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.461 HG23 ' H ' ' A' ' 24' ' ' ASN . 2.6 tt -133.81 159.99 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 73.24 111.122 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -40.87 -61.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 75.42 110.896 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.8 m -49.74 -41.82 44.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 52.1 110.878 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.461 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.5 OUTLIER 172.42 -77.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 70.11 110.902 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 1.352 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -149.13 166.53 28.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 64.01 110.886 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -164.49 128.32 2.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 72.13 110.863 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.4 m -91.37 -178.1 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 75.5 110.902 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -145.67 122.24 11.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 70.15 110.916 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 71.22 110.967 -179.922 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.918 0.39 . . . . 55.23 110.868 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.49 -28.21 19.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.886 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -57.93 -70.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 73.33 110.883 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -67.78 -31.4 71.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 74.4 110.854 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -60.25 -39.09 85.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 74.51 110.943 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -90.88 -39.0 12.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 53.54 110.895 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -57.85 -23.34 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 53.23 110.907 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -79.74 -19.54 48.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 72.54 110.863 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -112.96 5.8 17.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 70.32 110.902 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.63 94.7 2.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.737 . . . . 75.51 112.481 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.65 138.24 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.762 0.315 . . . . 52.1 111.118 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.47 -39.65 64.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 73.25 110.873 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -150.32 175.32 11.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 63.4 110.855 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' A' ' 27' ' ' CYS . . . -176.65 151.21 11.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 43.54 112.483 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.96 178.47 10.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 54.54 110.933 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -90.6 146.98 23.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 65.1 110.874 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.558 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.2 tt -133.99 158.39 42.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 75.43 111.074 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -40.56 -61.39 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 73.14 110.88 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.01 -42.31 48.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 74.4 110.833 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.558 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.6 OUTLIER 172.94 -78.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 72.55 110.903 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.09 163.93 36.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 64.51 110.887 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -160.31 129.6 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.85 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.4 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 11.6 m -94.43 -179.58 4.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 70.31 110.905 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -143.88 120.68 11.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 51.4 110.891 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 73.05 110.905 -179.928 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.833 0.349 . . . . 71.43 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -51.98 -28.71 17.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 52.21 110.869 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.78 -71.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 73.22 110.875 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.48 -32.98 74.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.52 110.914 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -59.19 -38.46 79.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 71.53 110.89 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -90.31 -38.11 13.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 75.44 110.877 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -57.73 -23.58 52.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 64.53 110.93 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -79.6 -20.1 47.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 72.25 110.854 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.86 6.74 18.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.844 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.02 94.84 2.36 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 50.32 112.511 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.61 135.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 54.12 111.095 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.2 -46.25 64.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.927 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -142.67 171.24 14.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 73.25 110.914 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -170.79 151.4 15.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 61.43 112.482 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.96 177.96 10.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.767 0.317 . . . . 73.42 110.926 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -91.8 148.2 22.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.9 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.463 HG23 ' H ' ' A' ' 24' ' ' ASN . 2.6 tt -134.01 160.11 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 65.54 111.102 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.85 -61.6 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 54.13 110.907 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.03 -41.81 48.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 33.11 110.858 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.463 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.4 OUTLIER 172.59 -77.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 42.53 110.861 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.68 167.55 25.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 64.33 110.897 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -164.81 132.14 3.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 75.32 110.9 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 15.4 m -96.25 -179.69 4.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 51.54 110.905 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -144.15 118.54 9.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 70.24 110.952 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 73.54 110.943 -179.914 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.861 0.362 . . . . 50.34 110.908 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.267 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER -50.92 -30.69 15.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 71.31 110.858 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.14 -70.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 62.54 110.862 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -32.84 74.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 65.04 110.92 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -60.16 -34.88 74.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 72.31 110.929 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.56 -34.58 13.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 72.35 110.899 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -62.39 -23.51 66.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 72.2 110.932 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -81.88 -12.33 58.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 50.11 110.911 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -120.68 5.83 10.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 72.35 110.906 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.12 91.82 2.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 32.33 112.481 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.61 139.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 73.34 111.072 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.09 -48.23 31.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 62.22 110.868 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -140.08 170.74 15.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 72.41 110.864 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.08 147.24 10.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 74.32 112.486 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.17 176.17 12.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 62.2 110.918 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 m -90.65 145.81 24.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 70.23 110.884 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.56 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.4 tt -133.07 158.37 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.11 111.127 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -40.53 -61.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 72.24 110.858 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.96 -42.4 48.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 72.43 110.866 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.56 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.5 m-20 173.01 -78.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 72.22 110.908 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 1.267 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -149.16 163.34 37.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 73.21 110.863 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -158.53 133.36 8.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 75.51 110.864 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.8 m -99.79 177.7 5.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 73.32 110.885 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -140.77 118.16 11.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 64.14 110.959 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 54.34 110.954 -179.905 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.87 0.367 . . . . 71.52 110.915 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.34 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.8 OUTLIER -51.3 -30.27 17.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 43.13 110.89 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.49 -69.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 75.13 110.877 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -67.4 -32.96 74.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 75.34 110.913 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -59.87 -35.73 75.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 75.34 110.906 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.11 -35.22 13.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 71.42 110.881 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -62.87 -23.1 67.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 71.35 110.903 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.32 -11.72 58.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 71.23 110.857 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -120.76 4.46 10.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 64.31 110.872 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.03 91.24 2.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 52.15 112.465 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.63 143.86 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.755 0.312 . . . . 45.32 111.122 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -76.99 -50.07 13.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.24 110.9 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -138.01 170.54 15.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.919 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 27' ' ' CYS . . . -167.89 145.37 9.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.733 . . . . 75.32 112.517 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.27 175.8 12.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 73.54 110.883 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.56 144.84 25.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 72.21 110.892 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.563 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.6 tt -132.49 158.3 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 74.21 111.128 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -40.42 -61.38 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 71.21 110.876 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -50.1 -42.53 50.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 72.51 110.854 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.563 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.5 OUTLIER 172.96 -78.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 73.11 110.935 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 1.34 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -149.08 162.92 38.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 71.14 110.91 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -157.63 134.65 10.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.828 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.401 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 17.6 m -101.89 176.26 5.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 75.15 110.94 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -138.95 118.04 12.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.917 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 75.34 110.94 -179.909 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.823 0.344 . . . . 75.31 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.269 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.8 OUTLIER -50.86 -30.81 15.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 62.14 110.906 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.27 -69.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 71.2 110.905 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.47 -32.57 74.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 74.34 110.914 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -60.43 -34.99 74.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 65.11 110.929 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.61 -34.12 13.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 63.03 110.935 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -63.0 -23.47 67.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 72.43 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.21 -11.75 58.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 42.21 110.868 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -121.02 5.39 10.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 74.44 110.942 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.75 91.47 2.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 74.31 112.485 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.52 140.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.32 . . . . 62.4 111.126 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.71 -48.8 23.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 74.41 110.843 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -139.38 170.68 15.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 64.21 110.904 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.92 146.9 10.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.708 -0.758 . . . . 61.21 112.488 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.01 176.04 12.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 45.21 110.902 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -90.55 145.63 24.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 53.44 110.893 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.561 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.4 tt -132.97 158.35 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 64.34 111.137 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -40.53 -61.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 71.31 110.903 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.95 -42.39 48.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 74.21 110.837 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.561 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.7 m-20 173.0 -78.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 70.21 110.861 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 1.269 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -149.28 163.27 38.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 51.43 110.895 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -158.35 133.63 8.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 74.42 110.852 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 17.7 m -100.31 177.28 5.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.914 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -140.25 118.04 11.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 74.15 110.91 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 73.33 110.889 -179.902 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.86 0.362 . . . . 72.34 110.872 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.185 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER -51.38 -29.88 17.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.897 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.96 -69.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.51 110.84 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -66.54 -35.33 79.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 75.22 110.882 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -58.23 -33.33 69.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 72.4 110.925 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -94.79 -34.09 12.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 53.15 110.835 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -65.37 -20.21 66.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.885 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.13 -10.32 56.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 63.15 110.905 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -118.85 -1.65 11.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.12 110.901 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.18 89.08 1.59 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 52.5 112.485 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.36 145.31 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 73.01 111.068 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.4 mtt-85 -77.29 -44.84 28.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 73.31 110.869 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.435 ' ND2' ' H ' ' A' ' 18' ' ' GLY . 3.5 t30 -145.56 178.81 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 61.04 110.858 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.435 ' H ' ' ND2' ' A' ' 17' ' ' ASN . . . 176.87 151.53 9.08 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 63.05 112.476 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.66 -178.89 6.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.352 . . . . 74.02 110.904 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.7 m -90.78 143.26 26.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 73.43 110.837 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.58 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.7 tt -132.33 157.94 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 63.1 111.148 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -40.54 -61.18 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.882 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 t -50.05 -42.63 50.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 63.5 110.865 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.58 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.5 m-20 172.75 -78.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 73.04 110.923 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 1.185 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -148.53 163.15 38.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 71.03 110.889 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -157.56 129.97 7.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 72.04 110.84 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.402 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 19.2 m -96.36 178.22 5.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 33.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -140.88 121.05 13.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 75.4 110.955 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 74.45 110.899 -179.863 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.871 0.367 . . . . 73.34 110.874 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.402 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 1.0 OUTLIER -51.53 -29.93 18.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 63.01 110.865 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.518 ' NE ' HE22 ' A' ' 11' ' ' GLN . 0.0 OUTLIER -55.91 -70.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 70.01 110.88 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -34.15 76.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.35 110.871 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -58.24 -36.31 73.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 75.13 110.935 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -92.09 -40.13 11.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 74.04 110.883 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.518 HE22 ' NE ' ' A' ' 7' ' ' ARG . 26.0 mt-30 -55.64 -29.99 60.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 64.04 110.904 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.85 -25.16 62.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 70.21 110.873 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.22 5.64 25.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.34 110.878 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . 105.61 100.8 2.66 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.772 -0.727 . . . . 63.22 112.493 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 177.65 143.38 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 65.31 111.117 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -42.01 61.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.877 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -150.58 174.62 12.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 74.21 110.887 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.27 143.5 8.18 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.778 -0.725 . . . . 72.45 112.505 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.01 176.11 12.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.329 . . . . 73.14 110.887 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.77 142.96 27.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 72.04 110.892 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.559 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.5 tt -131.04 158.38 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 75.54 111.163 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -40.23 -61.56 0.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 71.51 110.865 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.07 -42.74 50.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 60.43 110.834 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.559 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.8 m-20 172.9 -78.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 73.21 110.932 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 1.402 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -148.78 163.62 36.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 41.45 110.846 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -158.11 135.85 10.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 63.4 110.882 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 30.3 m -102.57 175.63 5.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 73.12 110.898 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -138.57 134.24 33.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 65.25 110.94 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.494 . . . . 74.23 110.947 -179.92 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.869 0.366 . . . . 51.33 110.907 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.087 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 1.3 m -52.43 -27.98 18.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.34 110.899 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.486 ' NE ' HE22 ' A' ' 11' ' ' GLN . 0.2 OUTLIER -58.13 -62.14 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 72.12 110.905 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.66 -34.75 67.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 75.05 110.883 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -60.07 -35.19 74.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 71.43 110.913 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -93.11 -29.23 15.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 75.53 110.852 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.486 HE22 ' NE ' ' A' ' 7' ' ' ARG . 24.1 mt-30 -69.88 -23.09 63.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 71.31 110.912 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.14 -7.66 59.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.858 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -120.88 -7.58 9.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.858 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 118.15 90.53 1.41 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.793 -0.718 . . . . 74.03 112.543 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.33 143.53 0.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.82 0.343 . . . . 64.21 111.109 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -51.69 21.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 72.05 110.862 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -139.56 170.11 16.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 70.54 110.867 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 27' ' ' CYS . . . -166.72 145.65 10.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 73.21 112.486 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.86 174.81 13.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 63.44 110.871 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 m -90.15 142.87 27.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 62.33 110.889 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.576 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.7 tt -130.95 158.0 43.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 52.44 111.149 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -40.59 -61.22 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 74.13 110.873 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.02 -42.49 49.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 65.21 110.907 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.576 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.5 m-20 172.77 -78.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 61.1 110.914 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 1.087 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -148.89 162.05 40.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 61.24 110.87 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -156.84 135.32 11.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 75.43 110.871 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.404 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 12.0 m -103.68 175.13 5.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 53.35 110.829 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -137.62 119.3 15.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 74.12 110.931 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 72.33 110.943 -179.931 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.898 0.38 . . . . 72.42 110.83 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.237 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER -50.54 -28.24 8.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 65.02 110.926 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -65.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 72.5 110.852 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.91 -39.04 92.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 62.14 110.921 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -59.13 -52.47 65.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 64.13 110.952 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.1 t -74.36 -22.99 58.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 73.24 110.856 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -67.58 -31.48 71.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 63.51 110.868 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.21 -49.04 54.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 62.13 110.902 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -71.7 -14.42 62.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 75.24 110.861 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.91 96.23 1.49 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 44.23 112.449 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.31 139.06 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 54.31 111.064 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -70.62 -41.41 72.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 73.33 110.833 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.401 ' ND2' ' H ' ' A' ' 18' ' ' GLY . 4.1 t30 -148.99 177.09 9.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 72.15 110.858 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.401 ' H ' ' ND2' ' A' ' 17' ' ' ASN . . . 175.55 157.31 16.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 63.01 112.452 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.72 178.56 10.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.893 0.377 . . . . 72.55 110.874 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -88.93 144.12 26.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 75.14 110.864 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.557 HG23 ' H ' ' A' ' 24' ' ' ASN . 3.9 tt -131.37 158.35 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 72.14 111.149 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -40.93 -61.81 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 62.34 110.916 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.51 -41.68 41.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 54.45 110.875 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.557 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.5 OUTLIER 172.87 -78.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 74.33 110.848 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 1.237 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -150.12 162.58 40.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 73.42 110.921 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.429 ' CD2' ' HH ' ' A' ' 28' ' ' TYR . 2.5 p-80 -159.04 128.22 5.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 72.32 110.842 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.6 m -94.12 -179.67 5.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 72.41 110.882 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.429 ' HH ' ' CD2' ' A' ' 26' ' ' HIS . 58.0 m-85 -143.43 121.04 11.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 71.05 110.955 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.901 -179.881 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.854 0.359 . . . . 73.32 110.924 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.96 -26.66 26.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.01 110.909 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.63 -67.77 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 74.21 110.887 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.52 -35.18 75.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 71.01 110.87 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -58.89 -45.07 91.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 75.02 110.893 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.1 t -83.09 -34.18 26.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 62.15 110.839 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -62.35 -22.71 66.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 72.33 110.909 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -79.22 -20.97 46.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 64.41 110.908 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.54 -1.67 21.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 53.34 110.875 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 112.1 94.12 2.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 63.33 112.445 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -170.78 149.99 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 54.4 111.109 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.35 -47.96 10.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 72.43 110.894 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -152.31 124.83 8.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 61.45 110.856 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.6 156.7 17.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 72.31 112.519 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HE2' ' HH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -158.4 -174.34 4.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.898 0.38 . . . . 72.35 110.868 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -97.55 150.4 21.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 43.41 110.861 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.549 HD12 ' CD2' ' A' ' 26' ' ' HIS . 3.2 tt -134.08 158.74 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 64.44 111.134 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -41.13 -61.57 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 70.14 110.864 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m -49.54 -41.17 40.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 70.01 110.842 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.524 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.6 OUTLIER 173.48 -79.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 64.31 110.89 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -147.23 170.28 17.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 55.12 110.858 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.549 ' CD2' HD12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -167.79 154.53 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.821 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.1 m -123.1 169.23 11.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 75.14 110.875 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.418 ' HH ' ' HE2' ' A' ' 19' ' ' LYS . 38.9 m-85 -136.74 120.27 17.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 63.52 110.921 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.498 . . . . 72.53 110.91 -179.906 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.859 0.361 . . . . 72.13 110.903 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.95 -26.64 26.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 51.12 110.919 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.55 -67.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 51.12 110.917 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 tptt -69.49 -35.26 75.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 61.44 110.93 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -58.79 -44.86 90.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 74.53 110.909 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.1 t -83.37 -34.26 25.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 61.24 110.886 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -62.35 -22.65 66.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 73.03 110.935 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.22 -21.04 46.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 72.41 110.849 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.59 -1.68 21.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.881 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 112.21 94.1 2.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 53.25 112.46 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -170.85 149.94 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.32 . . . . 61.14 111.138 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -84.27 -47.97 10.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 74.33 110.896 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -152.33 124.75 8.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 71.14 110.897 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.58 156.73 17.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.777 -0.725 . . . . 71.52 112.532 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.42 -174.33 4.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 64.23 110.904 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.4 m -97.59 150.42 21.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.51 110.911 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.548 HD12 ' CD2' ' A' ' 26' ' ' HIS . 3.2 tt -134.14 158.76 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 51.35 111.106 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -41.08 -61.61 0.97 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 74.04 110.915 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.51 -41.17 40.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 71.11 110.86 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.523 ' H ' HG23 ' A' ' 21' ' ' ILE . 3.0 m-20 173.45 -78.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 64.34 110.891 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -147.25 170.27 17.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 54.42 110.859 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.548 ' CD2' HD12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -167.82 154.53 7.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 65.4 110.859 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.2 m -123.12 169.18 11.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.893 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -136.7 120.32 17.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 73.41 110.947 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 73.23 110.907 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.799 0.333 . . . . 74.41 111.116 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.335 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 29.7 m -111.86 152.67 27.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 73.02 110.858 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.1 m -118.11 -40.94 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 64.51 111.151 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -142.35 38.97 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 71.22 110.843 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 65.68 116.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 54.31 110.877 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.85 -29.11 18.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 75.42 110.918 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -71.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 75.44 110.881 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -32.96 74.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 75.52 110.935 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -59.17 -36.71 75.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 63.23 110.934 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.14 -38.15 12.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.05 -0.523 . . . . 74.25 110.878 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -56.86 -23.26 43.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 64.02 110.95 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -78.89 -24.35 44.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.829 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.67 3.44 29.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 74.14 110.9 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.48 95.29 2.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 64.45 112.497 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -177.35 139.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.34 . . . . 62.13 111.089 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.14 -34.33 63.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 75.01 110.874 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -157.4 -179.74 8.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 65.35 110.886 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.44 162.5 27.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.729 . . . . 63.31 112.482 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.65 179.82 5.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 61.05 110.882 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.335 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.3 m -89.62 147.77 23.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 74.24 110.872 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.537 HG23 ' H ' ' A' ' 24' ' ' ASN . 3.6 tt -134.6 158.76 41.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 64.25 111.134 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -40.41 -61.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 64.33 110.893 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.5 m -49.94 -42.45 48.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 44.41 110.878 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.537 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.5 OUTLIER 173.0 -77.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 60.31 110.913 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.88 165.07 32.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 75.32 110.889 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -163.59 130.24 3.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 75.15 110.88 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.7 m -93.98 -179.38 4.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 73.02 110.879 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -143.27 122.64 13.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 72.5 110.938 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 64.51 110.973 -179.937 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.833 0.349 . . . . 31.14 111.107 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.332 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 82.6 m -105.26 145.92 30.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 61.25 110.886 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.1 m -118.14 -37.87 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 75.2 111.129 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -146.31 38.88 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 65.44 110.866 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 65.71 116.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 60.21 110.847 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.317 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.6 OUTLIER -51.93 -29.21 19.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 54.15 110.864 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.58 -68.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 74.12 110.938 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -67.87 -32.62 73.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 71.5 110.888 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -60.21 -37.23 79.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 75.1 110.901 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -91.24 -39.21 12.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 75.33 110.858 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -58.45 -22.03 53.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 74.4 110.906 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -81.09 -17.66 49.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 63.23 110.872 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -114.33 4.85 15.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.89 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.88 93.47 2.28 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 62.41 112.501 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -177.77 138.55 0.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.789 0.328 . . . . 73.5 111.135 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -35.71 65.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 62.23 110.885 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.441 ' ND2' ' H ' ' A' ' 18' ' ' GLY . 3.4 t30 -156.06 179.57 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 64.54 110.875 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.441 ' H ' ' ND2' ' A' ' 17' ' ' ASN . . . 177.19 160.87 24.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 74.24 112.518 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.47 179.98 6.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.338 . . . . 75.22 110.885 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.332 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.6 m -89.52 148.22 23.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 51.43 110.856 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.546 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.0 tt -135.32 158.66 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 65.55 111.181 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -40.49 -61.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 72.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.15 -42.22 50.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 41.33 110.876 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.546 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.0 m-20 172.68 -77.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 62.24 110.883 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 1.317 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -148.82 164.66 33.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.896 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -163.08 129.0 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 70.1 110.832 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.4 m -92.87 -178.51 4.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 63.31 110.915 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -144.5 122.39 12.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 65.34 110.945 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 75.23 110.92 -179.921 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.824 0.345 . . . . 42.45 111.13 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 50.6 m -68.3 129.95 41.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 72.13 110.871 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 m -118.16 -41.09 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 64.11 111.129 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -140.4 40.02 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 73.34 110.858 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 65.89 117.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.852 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -52.04 -28.73 18.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.45 110.865 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.6 mtm-85 -57.73 -70.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 73.3 110.844 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -67.51 -31.3 71.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.928 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -60.71 -38.16 84.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 75.2 110.934 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -91.44 -37.42 13.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 61.13 110.871 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -56.94 -23.89 48.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 72.35 110.89 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -78.31 -23.32 47.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 73.02 110.857 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.62 4.86 26.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 73.4 110.911 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.01 94.88 2.38 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 60.01 112.52 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.62 139.62 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 60.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -43.96 56.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 75.24 110.836 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -143.8 173.0 12.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 54.24 110.926 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -172.26 148.38 10.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 74.32 112.512 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.46 177.85 10.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.797 0.332 . . . . 74.14 110.883 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.278 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.1 m -91.4 148.21 22.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 75.2 110.851 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.536 HG23 ' H ' ' A' ' 24' ' ' ASN . 3.8 tt -134.92 158.91 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 74.41 111.132 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -40.56 -61.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 75.4 110.855 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.97 -42.01 47.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 60.01 110.838 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.536 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.1 m-20 172.74 -77.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 64.33 110.9 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.1 165.61 31.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 71.21 110.907 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -161.2 131.54 5.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 72.24 110.849 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.3 m -97.81 178.34 5.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 74.2 110.882 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -141.36 117.95 10.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.899 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 62.41 110.952 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.87 0.367 . . . . 54.3 111.103 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.292 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 30.9 m -86.73 128.13 35.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 73.11 110.88 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.2 m -119.18 -40.87 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 51.34 111.151 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -141.16 39.62 1.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 72.01 110.879 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 65.84 117.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 73.34 110.867 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.97 -29.08 19.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 53.32 110.911 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -57.39 -70.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 71.4 110.89 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.36 -32.04 72.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 71.43 110.854 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -60.42 -40.46 91.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 52.1 110.94 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -88.35 -37.4 15.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 75.15 110.909 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -56.67 -24.42 48.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.92 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -77.68 -24.25 49.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 55.13 110.878 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.67 4.85 28.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 71.03 110.916 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.67 95.6 2.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 73.33 112.507 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.44 137.64 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 54.11 111.104 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -45.83 61.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 55.14 110.834 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -142.65 171.95 13.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 74.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.74 147.29 10.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.747 -0.74 . . . . 74.43 112.497 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.425 ' HE3' ' HH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -153.86 179.49 8.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 72.54 110.92 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.292 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 0.9 OUTLIER -91.95 148.86 21.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 71.24 110.836 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.535 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.0 tt -135.06 158.86 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 60.32 111.139 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -40.31 -61.37 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 42.2 110.873 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.9 t -50.22 -42.44 51.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 63.23 110.833 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.535 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.8 m-20 173.14 -77.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 72.3 110.896 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.32 165.74 30.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.912 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -162.35 132.82 4.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 51.12 110.88 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.5 m -97.44 179.58 4.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 42.43 110.86 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.425 ' HH ' ' HE3' ' A' ' 19' ' ' LYS . 57.8 m-85 -143.34 118.51 10.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 75.44 110.911 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 74.23 110.902 -179.923 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.854 0.359 . . . . 61.51 111.094 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.38 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 58.5 m -52.48 132.51 35.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 51.12 110.896 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.9 m -119.67 -40.19 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 62.22 111.14 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -139.99 41.05 1.97 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 64.13 110.882 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 65.77 117.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 71.1 110.887 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -52.83 -28.04 21.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 75.23 110.853 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -57.66 -69.52 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 73.05 110.878 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.26 -32.73 72.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 72.21 110.873 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -59.41 -38.38 80.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 75.03 110.926 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -91.52 -38.22 12.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 62.41 110.9 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -57.76 -23.34 51.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 72.22 110.889 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -78.62 -23.62 45.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 65.25 110.847 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.44 2.65 26.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 71.21 110.942 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.62 94.87 2.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 61.14 112.463 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.05 149.89 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 43.45 111.08 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.18 -49.84 11.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 60.01 110.852 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -138.39 172.46 12.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 71.23 110.886 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -167.48 141.7 7.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 51.42 112.489 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.15 175.62 12.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 73.15 110.913 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.38 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 0.6 OUTLIER -90.92 143.71 26.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 71.5 110.899 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.546 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.3 tt -131.46 158.75 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 52.31 111.163 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -40.21 -61.49 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 64.02 110.909 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.7 t -50.22 -42.61 51.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 44.54 110.895 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.546 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.5 OUTLIER 173.0 -77.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 72.51 110.905 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.89 164.3 34.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 75.12 110.894 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -158.4 135.37 9.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 75.43 110.842 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.4 m -103.39 175.05 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.871 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -136.74 124.54 22.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 71.32 110.914 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 72.44 110.949 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.828 0.347 . . . . 72.25 111.102 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.286 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 31.7 m -71.09 127.28 32.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 53.05 110.877 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.8 m -117.91 -41.05 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 72.33 111.179 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -140.57 40.34 1.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 75.4 110.916 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 66.16 119.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 62.02 110.876 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.3 -28.15 17.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 55.12 110.895 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.1 mtm-85 -58.57 -71.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 64.21 110.905 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.62 -29.71 69.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 62.04 110.893 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -61.86 -39.66 92.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 71.33 110.943 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.11 -38.73 13.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 51.55 110.835 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -57.53 -24.08 54.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 61.23 110.935 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -79.1 -20.41 48.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 70.22 110.876 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -112.78 7.43 18.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 63.23 110.923 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.87 94.78 2.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 75.31 112.474 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.87 137.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 71.33 111.131 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.07 -43.24 62.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 61.24 110.925 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -145.55 173.05 12.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 72.44 110.897 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -173.39 150.39 12.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.742 . . . . 71.45 112.492 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.34 177.67 11.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 73.13 110.854 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.286 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.1 m -90.67 147.84 23.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 43.03 110.843 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.555 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.2 tt -134.7 158.55 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 71.55 111.079 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -40.78 -61.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 70.05 110.858 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.02 -42.03 48.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 71.24 110.852 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.555 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.1 m-20 172.63 -78.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.865 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.14 163.82 36.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 51.44 110.845 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -159.97 131.11 5.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 74.05 110.908 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 11.9 m -96.44 179.77 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 70.22 110.899 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -143.1 119.22 10.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 73.51 110.909 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 74.14 110.898 -179.905 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.832 0.349 . . . . 72.42 111.041 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.398 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 19.2 m -90.14 110.72 21.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 71.41 110.902 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.0 m -83.07 -35.01 11.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 43.35 111.152 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -146.88 40.01 1.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 64.14 110.887 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 65.75 116.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 74.33 110.894 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.79 -29.19 18.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 52.15 110.886 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -70.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 60.21 110.873 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -66.87 -33.56 75.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 71.53 110.872 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -59.53 -37.42 78.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 64.22 110.938 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -90.47 -36.37 14.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 70.32 110.861 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -57.47 -22.72 45.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.869 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.46 -22.14 44.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 75.04 110.837 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.5 3.87 23.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 72.1 110.908 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.37 94.33 2.35 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 73.14 112.497 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.15 137.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 71.1 111.079 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -70.74 -45.5 64.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 55.45 110.894 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -142.7 171.91 13.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 54.24 110.865 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.99 148.06 10.55 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 71.12 112.465 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.14 179.13 9.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.823 0.344 . . . . 73.55 110.874 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.398 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.3 m -91.75 148.61 22.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 53.01 110.943 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.532 HG23 ' H ' ' A' ' 24' ' ' ASN . 3.8 tt -134.66 158.98 41.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 52.42 111.143 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -40.41 -61.49 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 75.25 110.896 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.1 -42.33 50.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 71.15 110.876 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.532 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.6 m-20 173.2 -77.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 74.24 110.851 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.42 166.12 29.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 74.14 110.894 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.41 ' CD2' ' HH ' ' A' ' 28' ' ' TYR . 1.7 p-80 -163.18 132.03 3.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 73.32 110.855 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.5 m -96.24 179.97 4.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 74.15 110.865 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.41 ' HH ' ' CD2' ' A' ' 26' ' ' HIS . 59.1 m-85 -143.9 118.39 9.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 73.43 110.923 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 75.13 110.921 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.8 0.333 . . . . 75.24 111.116 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.396 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 20.3 m -71.94 135.19 46.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 74.03 110.875 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 m -100.74 -33.53 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 65.22 111.139 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -149.09 38.86 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 73.11 110.9 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 65.65 115.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 73.22 110.881 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.27 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.8 OUTLIER -51.71 -29.24 17.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 71.11 110.902 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.81 -70.01 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 62.31 110.917 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.5 -33.03 74.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 64.44 110.936 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -59.55 -36.75 76.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.931 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.08 -37.52 12.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 64.41 110.91 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -57.0 -23.41 45.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 73.22 110.945 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.9 -23.49 44.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 71.12 110.885 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.99 4.02 26.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 71.52 110.885 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.51 94.83 2.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 71.33 112.485 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.66 138.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.754 0.311 . . . . 74.41 111.093 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -72.75 -40.32 66.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 73.21 110.839 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -148.8 175.53 11.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.864 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -177.51 150.37 10.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.741 -0.742 . . . . 62.32 112.49 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.17 179.3 9.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.832 0.349 . . . . 74.52 110.944 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.396 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.3 m -91.39 146.92 23.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 71.52 110.882 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.464 HG23 ' H ' ' A' ' 24' ' ' ASN . 2.5 tt -133.46 160.14 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 71.21 111.139 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -40.91 -61.71 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 42.2 110.881 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -50.0 -41.59 47.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 75.01 110.857 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.464 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.0 m-20 172.19 -77.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 64.44 110.873 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 1.27 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -149.15 167.33 26.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 73.05 110.894 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -164.19 128.92 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 72.22 110.829 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 13.0 m -92.75 -178.8 4.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 70.35 110.87 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -145.08 119.83 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 74.24 110.931 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 63.11 110.91 -179.893 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.822 0.344 . . . . 71.02 111.093 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.41 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 36.3 m -97.52 -69.8 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 74.45 110.898 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.7 m -152.05 -41.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 62.04 111.137 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -166.95 35.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 51.34 110.842 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 65.39 114.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.13 110.89 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.352 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER -52.72 -27.78 19.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 64.01 110.897 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -63.91 1.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 65.35 110.874 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.71 -34.97 72.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 54.32 110.892 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -60.21 -43.05 96.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 70.03 110.912 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -84.65 -37.29 21.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 74.42 110.911 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -52.98 -33.94 53.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 64.01 110.877 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -66.46 -50.49 63.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 63.01 110.862 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -8.15 54.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.883 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.78 98.3 2.21 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.671 -0.776 . . . . 65.45 112.462 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -179.18 139.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.75 0.309 . . . . 65.14 111.131 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.55 -36.92 71.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 70.34 110.853 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.42 ' ND2' ' H ' ' A' ' 18' ' ' GLY . 3.8 t30 -153.14 178.51 9.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 61.1 110.861 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.42 ' H ' ' ND2' ' A' ' 17' ' ' ASN . . . 177.49 161.94 26.8 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 61.33 112.487 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.36 179.72 6.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 64.03 110.916 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.41 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 2.5 m -90.45 146.82 23.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 71.03 110.886 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.461 HG23 ' H ' ' A' ' 24' ' ' ASN . 2.6 tt -133.81 159.99 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 73.24 111.122 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -40.87 -61.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 75.42 110.896 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.8 m -49.74 -41.82 44.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 52.1 110.878 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.461 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.5 OUTLIER 172.42 -77.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 70.11 110.902 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 1.352 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -149.13 166.53 28.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 64.01 110.886 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -164.49 128.32 2.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 72.13 110.863 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.4 m -91.37 -178.1 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 75.5 110.902 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -145.67 122.24 11.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 70.15 110.916 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 71.22 110.967 -179.922 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.814 0.34 . . . . 64.32 111.107 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.329 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 22.2 m -139.05 153.55 48.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 42.21 110.883 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.7 m -116.03 -39.62 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 61.14 111.142 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -143.15 39.18 1.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 71.44 110.876 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 65.85 117.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 55.23 110.868 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.49 -28.21 19.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.886 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -57.93 -70.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 73.33 110.883 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -67.78 -31.4 71.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 74.4 110.854 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -60.25 -39.09 85.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 74.51 110.943 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -90.88 -39.0 12.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 53.54 110.895 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -57.85 -23.34 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 53.23 110.907 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -79.74 -19.54 48.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 72.54 110.863 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -112.96 5.8 17.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 70.32 110.902 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.63 94.7 2.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.737 . . . . 75.51 112.481 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.65 138.24 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.762 0.315 . . . . 52.1 111.118 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.47 -39.65 64.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 73.25 110.873 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -150.32 175.32 11.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 63.4 110.855 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' A' ' 27' ' ' CYS . . . -176.65 151.21 11.07 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 43.54 112.483 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.96 178.47 10.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 54.54 110.933 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.329 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.2 m -90.6 146.98 23.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 65.1 110.874 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.558 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.2 tt -133.99 158.39 42.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 75.43 111.074 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -40.56 -61.39 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 73.14 110.88 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.01 -42.31 48.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 74.4 110.833 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.558 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.6 OUTLIER 172.94 -78.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 72.55 110.903 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.09 163.93 36.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 64.51 110.887 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -160.31 129.6 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.85 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.4 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 11.6 m -94.43 -179.58 4.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 70.31 110.905 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -143.88 120.68 11.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 51.4 110.891 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 73.05 110.905 -179.928 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.832 0.349 . . . . 41.24 111.081 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.378 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 35.9 m -60.82 125.73 24.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 64.33 110.894 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.5 m -97.16 -33.58 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 73.24 111.13 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -149.62 39.47 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 72.42 110.921 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 65.82 116.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 71.43 110.894 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -51.98 -28.71 17.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 52.21 110.869 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.78 -71.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 73.22 110.875 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.48 -32.98 74.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.52 110.914 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -59.19 -38.46 79.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 71.53 110.89 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -90.31 -38.11 13.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 75.44 110.877 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -57.73 -23.58 52.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 64.53 110.93 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -79.6 -20.1 47.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 72.25 110.854 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.86 6.74 18.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.844 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.02 94.84 2.36 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 50.32 112.511 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.61 135.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 54.12 111.095 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.2 -46.25 64.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.927 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -142.67 171.24 14.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 73.25 110.914 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -170.79 151.4 15.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 61.43 112.482 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.96 177.96 10.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.767 0.317 . . . . 73.42 110.926 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.378 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.3 m -91.8 148.2 22.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.9 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.463 HG23 ' H ' ' A' ' 24' ' ' ASN . 2.6 tt -134.01 160.11 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 65.54 111.102 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.85 -61.6 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 54.13 110.907 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.03 -41.81 48.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 33.11 110.858 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.463 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.4 OUTLIER 172.59 -77.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 42.53 110.861 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.68 167.55 25.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 64.33 110.897 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -164.81 132.14 3.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 75.32 110.9 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 15.4 m -96.25 -179.69 4.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 51.54 110.905 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -144.15 118.54 9.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 70.24 110.952 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 73.54 110.943 -179.914 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.808 0.337 . . . . 65.53 111.109 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.295 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 19.7 m -82.32 133.33 35.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 53.13 110.925 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.1 m -122.21 -35.38 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 64.23 111.146 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -146.76 39.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.895 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 65.7 116.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 50.34 110.908 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.267 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER -50.92 -30.69 15.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 71.31 110.858 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.14 -70.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 62.54 110.862 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -32.84 74.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 65.04 110.92 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -60.16 -34.88 74.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 72.31 110.929 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.56 -34.58 13.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 72.35 110.899 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -62.39 -23.51 66.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 72.2 110.932 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -81.88 -12.33 58.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 50.11 110.911 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -120.68 5.83 10.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 72.35 110.906 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.12 91.82 2.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 32.33 112.481 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.61 139.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 73.34 111.072 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.09 -48.23 31.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 62.22 110.868 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -140.08 170.74 15.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 72.41 110.864 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.08 147.24 10.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 74.32 112.486 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.17 176.17 12.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 62.2 110.918 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.295 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.2 m -90.65 145.81 24.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 70.23 110.884 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.56 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.4 tt -133.07 158.37 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.11 111.127 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -40.53 -61.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 72.24 110.858 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.96 -42.4 48.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 72.43 110.866 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.56 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.5 m-20 173.01 -78.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 72.22 110.908 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 1.267 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -149.16 163.34 37.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 73.21 110.863 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -158.53 133.36 8.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 75.51 110.864 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.8 m -99.79 177.7 5.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 73.32 110.885 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -140.77 118.16 11.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 64.14 110.959 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 54.34 110.954 -179.905 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.845 0.355 . . . . 63.11 111.085 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.294 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 20.7 m -70.65 130.51 41.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 51.25 110.841 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.0 m -117.96 -41.06 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 63.53 111.113 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -140.55 40.52 1.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 62.13 110.91 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 65.68 116.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 71.52 110.915 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.34 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.8 OUTLIER -51.3 -30.27 17.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 43.13 110.89 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.49 -69.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 75.13 110.877 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -67.4 -32.96 74.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 75.34 110.913 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -59.87 -35.73 75.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 75.34 110.906 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.11 -35.22 13.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 71.42 110.881 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -62.87 -23.1 67.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 71.35 110.903 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.32 -11.72 58.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 71.23 110.857 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -120.76 4.46 10.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 64.31 110.872 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.03 91.24 2.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 52.15 112.465 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.63 143.86 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.755 0.312 . . . . 45.32 111.122 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -76.99 -50.07 13.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.24 110.9 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -138.01 170.54 15.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.919 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 27' ' ' CYS . . . -167.89 145.37 9.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.733 . . . . 75.32 112.517 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.27 175.8 12.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 73.54 110.883 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.294 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -90.56 144.84 25.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 72.21 110.892 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.563 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.6 tt -132.49 158.3 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 74.21 111.128 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -40.42 -61.38 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 71.21 110.876 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -50.1 -42.53 50.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 72.51 110.854 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.563 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.5 OUTLIER 172.96 -78.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 73.11 110.935 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 1.34 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -149.08 162.92 38.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 71.14 110.91 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -157.63 134.65 10.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.828 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.401 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 17.6 m -101.89 176.26 5.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 75.15 110.94 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -138.95 118.04 12.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.917 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 75.34 110.94 -179.909 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.898 0.38 . . . . 64.54 111.063 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.292 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 19.3 m -96.13 133.23 40.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 71.04 110.84 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.2 m -123.03 -35.52 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 75.14 111.136 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -145.9 40.3 1.16 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 62.35 110.85 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 65.71 116.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 75.31 110.881 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.269 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.8 OUTLIER -50.86 -30.81 15.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 62.14 110.906 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.27 -69.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 71.2 110.905 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.47 -32.57 74.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 74.34 110.914 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -60.43 -34.99 74.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 65.11 110.929 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.61 -34.12 13.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 63.03 110.935 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -63.0 -23.47 67.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 72.43 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.21 -11.75 58.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 42.21 110.868 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -121.02 5.39 10.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 74.44 110.942 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.75 91.47 2.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 74.31 112.485 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.52 140.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.32 . . . . 62.4 111.126 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.71 -48.8 23.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 74.41 110.843 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -139.38 170.68 15.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 64.21 110.904 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.92 146.9 10.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.708 -0.758 . . . . 61.21 112.488 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.01 176.04 12.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 45.21 110.902 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.292 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.1 m -90.55 145.63 24.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 53.44 110.893 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.561 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.4 tt -132.97 158.35 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 64.34 111.137 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -40.53 -61.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 71.31 110.903 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.95 -42.39 48.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 74.21 110.837 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.561 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.7 m-20 173.0 -78.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 70.21 110.861 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 1.269 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -149.28 163.27 38.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 51.43 110.895 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -158.35 133.63 8.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 74.42 110.852 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 17.7 m -100.31 177.28 5.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.914 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -140.25 118.04 11.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 74.15 110.91 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 73.33 110.889 -179.902 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.814 0.34 . . . . 71.14 111.101 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.442 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 25.1 m -99.84 141.77 32.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 75.4 110.908 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.403 HG23 ' HG2' ' A' ' 4' ' ' GLU . 27.1 m -122.18 -35.38 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 63.43 111.145 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.403 ' HG2' HG23 ' A' ' 3' ' ' VAL . 26.5 pt-20 -149.4 38.18 0.78 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 71.15 110.917 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 65.48 115.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 72.34 110.872 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.185 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER -51.38 -29.88 17.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.897 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.96 -69.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 73.51 110.84 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -66.54 -35.33 79.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 75.22 110.882 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -58.23 -33.33 69.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 72.4 110.925 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -94.79 -34.09 12.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 53.15 110.835 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -65.37 -20.21 66.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.885 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.13 -10.32 56.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 63.15 110.905 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -118.85 -1.65 11.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.12 110.901 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.18 89.08 1.59 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 52.5 112.485 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.36 145.31 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 73.01 111.068 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.4 mtt-85 -77.29 -44.84 28.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 73.31 110.869 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.435 ' ND2' ' H ' ' A' ' 18' ' ' GLY . 3.5 t30 -145.56 178.81 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 61.04 110.858 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.435 ' H ' ' ND2' ' A' ' 17' ' ' ASN . . . 176.87 151.53 9.08 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 63.05 112.476 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.66 -178.89 6.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.352 . . . . 74.02 110.904 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.442 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.7 m -90.78 143.26 26.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 73.43 110.837 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.58 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.7 tt -132.33 157.94 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 63.1 111.148 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -40.54 -61.18 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.882 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 t -50.05 -42.63 50.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 63.5 110.865 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.58 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.5 m-20 172.75 -78.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 73.04 110.923 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 1.185 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -148.53 163.15 38.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 71.03 110.889 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -157.56 129.97 7.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 72.04 110.84 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.402 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 19.2 m -96.36 178.22 5.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 33.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -140.88 121.05 13.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 75.4 110.955 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 74.45 110.899 -179.863 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.86 0.362 . . . . 63.0 111.099 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.289 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 26.4 m -68.39 127.54 33.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.877 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.6 m -118.23 -41.13 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 42.15 111.11 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -139.81 41.18 2.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 52.32 110.864 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 65.66 116.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 73.34 110.874 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.402 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 1.0 OUTLIER -51.53 -29.93 18.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 63.01 110.865 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.518 ' NE ' HE22 ' A' ' 11' ' ' GLN . 0.0 OUTLIER -55.91 -70.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 70.01 110.88 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -34.15 76.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.35 110.871 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -58.24 -36.31 73.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 75.13 110.935 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -92.09 -40.13 11.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 74.04 110.883 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.518 HE22 ' NE ' ' A' ' 7' ' ' ARG . 26.0 mt-30 -55.64 -29.99 60.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 64.04 110.904 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.85 -25.16 62.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 70.21 110.873 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.22 5.64 25.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.34 110.878 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . 105.61 100.8 2.66 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.772 -0.727 . . . . 63.22 112.493 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 177.65 143.38 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 65.31 111.117 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -42.01 61.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.877 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -150.58 174.62 12.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 74.21 110.887 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.27 143.5 8.18 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.778 -0.725 . . . . 72.45 112.505 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.01 176.11 12.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.329 . . . . 73.14 110.887 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.289 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -90.77 142.96 27.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 72.04 110.892 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.559 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.5 tt -131.04 158.38 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 75.54 111.163 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -40.23 -61.56 0.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 71.51 110.865 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.07 -42.74 50.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 60.43 110.834 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.559 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.8 m-20 172.9 -78.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 73.21 110.932 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 1.402 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -148.78 163.62 36.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 41.45 110.846 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -158.11 135.85 10.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 63.4 110.882 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 30.3 m -102.57 175.63 5.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 73.12 110.898 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -138.57 134.24 33.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 65.25 110.94 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.494 . . . . 74.23 110.947 -179.92 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.802 0.334 . . . . 74.44 111.116 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.3 m 50.47 87.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 65.15 110.883 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.1 m -51.5 -32.91 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 64.22 111.142 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -159.62 40.02 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 72.34 110.869 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 65.26 114.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 51.33 110.907 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.087 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 1.3 m -52.43 -27.98 18.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.34 110.899 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.486 ' NE ' HE22 ' A' ' 11' ' ' GLN . 0.2 OUTLIER -58.13 -62.14 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 72.12 110.905 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.66 -34.75 67.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 75.05 110.883 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -60.07 -35.19 74.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 71.43 110.913 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -93.11 -29.23 15.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 75.53 110.852 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.486 HE22 ' NE ' ' A' ' 7' ' ' ARG . 24.1 mt-30 -69.88 -23.09 63.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 71.31 110.912 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.14 -7.66 59.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.858 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -120.88 -7.58 9.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.858 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 118.15 90.53 1.41 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.793 -0.718 . . . . 74.03 112.543 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.33 143.53 0.66 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.82 0.343 . . . . 64.21 111.109 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -51.69 21.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 72.05 110.862 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -139.56 170.11 16.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 70.54 110.867 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 27' ' ' CYS . . . -166.72 145.65 10.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 73.21 112.486 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.86 174.81 13.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 63.44 110.871 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 m -90.15 142.87 27.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 62.33 110.889 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.576 HG23 ' H ' ' A' ' 24' ' ' ASN . 4.7 tt -130.95 158.0 43.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 52.44 111.149 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -40.59 -61.22 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 74.13 110.873 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.02 -42.49 49.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 65.21 110.907 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.576 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.5 m-20 172.77 -78.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 61.1 110.914 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 1.087 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -148.89 162.05 40.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 61.24 110.87 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -156.84 135.32 11.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 75.43 110.871 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.404 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 12.0 m -103.68 175.13 5.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 53.35 110.829 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -137.62 119.3 15.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 74.12 110.931 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 72.33 110.943 -179.931 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.854 0.359 . . . . 45.54 111.093 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 14.4 m -78.6 112.07 15.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 43.31 110.866 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.6 m -50.89 -31.91 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 65.33 111.084 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -171.45 -165.25 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 74.02 110.871 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -77.25 114.27 15.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 72.42 110.83 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.237 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER -50.54 -28.24 8.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 65.02 110.926 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -65.07 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 72.5 110.852 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.91 -39.04 92.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 62.14 110.921 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -59.13 -52.47 65.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 64.13 110.952 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.1 t -74.36 -22.99 58.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 73.24 110.856 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -67.58 -31.48 71.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 63.51 110.868 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.21 -49.04 54.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 62.13 110.902 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -71.7 -14.42 62.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 75.24 110.861 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.91 96.23 1.49 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 44.23 112.449 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.31 139.06 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 54.31 111.064 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -70.62 -41.41 72.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 73.33 110.833 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.401 ' ND2' ' H ' ' A' ' 18' ' ' GLY . 4.1 t30 -148.99 177.09 9.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 72.15 110.858 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.401 ' H ' ' ND2' ' A' ' 17' ' ' ASN . . . 175.55 157.31 16.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 63.01 112.452 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.72 178.56 10.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.893 0.377 . . . . 72.55 110.874 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.3 m -88.93 144.12 26.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 75.14 110.864 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.557 HG23 ' H ' ' A' ' 24' ' ' ASN . 3.9 tt -131.37 158.35 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 72.14 111.149 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -40.93 -61.81 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 62.34 110.916 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.51 -41.68 41.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 54.45 110.875 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.557 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.5 OUTLIER 172.87 -78.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 74.33 110.848 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 1.237 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -150.12 162.58 40.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 73.42 110.921 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.429 ' CD2' ' HH ' ' A' ' 28' ' ' TYR . 2.5 p-80 -159.04 128.22 5.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 72.32 110.842 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.6 m -94.12 -179.67 5.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 72.41 110.882 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.429 ' HH ' ' CD2' ' A' ' 26' ' ' HIS . 58.0 m-85 -143.43 121.04 11.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 71.05 110.955 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.901 -179.881 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.832 0.349 . . . . 74.14 111.062 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.272 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 19.0 m -74.8 132.59 41.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 63.33 110.902 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.5 m -108.57 -31.49 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 63.42 111.127 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -150.83 40.07 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 61.23 110.888 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 65.82 117.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 73.32 110.924 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.96 -26.66 26.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.01 110.909 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.63 -67.77 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 74.21 110.887 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.52 -35.18 75.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 71.01 110.87 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -58.89 -45.07 91.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 75.02 110.893 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.1 t -83.09 -34.18 26.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 62.15 110.839 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -62.35 -22.71 66.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 72.33 110.909 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -79.22 -20.97 46.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 64.41 110.908 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.54 -1.67 21.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 53.34 110.875 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 112.1 94.12 2.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 63.33 112.445 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -170.78 149.99 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 54.4 111.109 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.35 -47.96 10.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 72.43 110.894 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -152.31 124.83 8.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 61.45 110.856 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.6 156.7 17.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 72.31 112.519 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HE2' ' HH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -158.4 -174.34 4.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.898 0.38 . . . . 72.35 110.868 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.272 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.3 m -97.55 150.4 21.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 43.41 110.861 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.549 HD12 ' CD2' ' A' ' 26' ' ' HIS . 3.2 tt -134.08 158.74 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 64.44 111.134 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -41.13 -61.57 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 70.14 110.864 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m -49.54 -41.17 40.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 70.01 110.842 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.524 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.6 OUTLIER 173.48 -79.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 64.31 110.89 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -147.23 170.28 17.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 55.12 110.858 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.549 ' CD2' HD12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -167.79 154.53 8.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.821 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.1 m -123.1 169.23 11.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 75.14 110.875 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.418 ' HH ' ' HE2' ' A' ' 19' ' ' LYS . 38.9 m-85 -136.74 120.27 17.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 63.52 110.921 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.498 . . . . 72.53 110.91 -179.906 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.849 0.356 . . . . 43.21 111.066 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 19.4 m -107.36 122.17 46.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 64.13 110.886 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.5 m -92.65 -30.63 4.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 73.23 111.102 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -151.82 39.98 0.64 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.864 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 65.82 117.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 72.13 110.903 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.95 -26.64 26.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 51.12 110.919 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.55 -67.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 51.12 110.917 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 tptt -69.49 -35.26 75.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 61.44 110.93 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -58.79 -44.86 90.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 74.53 110.909 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.1 t -83.37 -34.26 25.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 61.24 110.886 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -62.35 -22.65 66.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 73.03 110.935 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.22 -21.04 46.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 72.41 110.849 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.59 -1.68 21.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.881 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 112.21 94.1 2.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 53.25 112.46 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -170.85 149.94 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.32 . . . . 61.14 111.138 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -84.27 -47.97 10.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 74.33 110.896 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -152.33 124.75 8.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 71.14 110.897 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.58 156.73 17.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.777 -0.725 . . . . 71.52 112.532 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.42 -174.33 4.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 64.23 110.904 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 2' ' ' CYS . 1.4 m -97.59 150.42 21.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.51 110.911 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.548 HD12 ' CD2' ' A' ' 26' ' ' HIS . 3.2 tt -134.14 158.76 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 51.35 111.106 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -41.08 -61.61 0.97 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 74.04 110.915 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.51 -41.17 40.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 71.11 110.86 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.523 ' H ' HG23 ' A' ' 21' ' ' ILE . 3.0 m-20 173.45 -78.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 64.34 110.891 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -147.25 170.27 17.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 54.42 110.859 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.548 ' CD2' HD12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -167.82 154.53 7.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 65.4 110.859 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.2 m -123.12 169.18 11.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.893 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -136.7 120.32 17.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 73.41 110.947 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 73.23 110.907 -179.899 . . . . . . . . 0 0 . 1 stop_ save_