data_2ebl_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 2ebl _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.574 HD12 ' CD1' ' A' ' 25' ' ' PHE . 56.9 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.775 0.321 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -112.88 159.96 18.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.7 t -76.32 118.51 19.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.1 m -68.96 1.14 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.0 t -105.28 -52.08 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.1 p -117.99 -15.33 9.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 10' ' ' CYS . . . 98.17 -20.13 51.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 10' ' ' CYS . 36.0 t0 -49.81 139.59 13.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -43.39 103.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.8 t -53.57 136.93 37.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.4 p -89.57 28.27 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.75 163.3 17.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 30.9 ttmt -63.29 102.2 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.329 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -113.06 130.47 56.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.558 ' CE1' HG21 ' A' ' 80' ' ' VAL . 41.8 m-85 64.77 25.67 12.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.45 -23.71 28.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -118.31 156.27 29.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.574 ' CD1' HD12 ' A' ' 8' ' ' ILE . 70.0 m-85 -81.92 111.62 18.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.4 p -137.0 152.27 49.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.179 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.5 p -71.34 177.56 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -71.77 -29.27 64.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.85 -47.87 81.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.537 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 54.5 m -83.48 -28.99 28.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.933 0.397 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.486 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -52.29 -48.31 65.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.486 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 53.6 p -79.52 -41.36 27.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.461 ' CE2' ' HG2' ' A' ' 66' ' ' ARG . 68.1 t80 -56.16 -30.67 62.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.819 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -74.37 -49.28 23.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.542 ' O ' ' N ' ' A' ' 37' ' ' SER . 20.5 tttt -63.8 -63.56 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 35' ' ' LYS . 1.2 ptp180 -34.89 -30.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 35' ' ' LYS . 9.3 p -93.75 -46.5 7.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.93 -61.16 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.414 ' C ' ' HD3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -55.28 -27.23 45.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 66.8 mtp180 -91.25 -16.99 26.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 66.48 42.12 2.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.1 mt -80.75 175.37 10.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 51.3 m -161.25 105.66 1.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -91.53 150.87 21.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.5 m -112.81 101.68 9.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.417 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 40.0 t -58.21 107.52 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -62.45 -7.79 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.403 ' C ' ' H ' ' A' ' 50' ' ' ARG . . . -104.01 -172.58 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -81.11 31.35 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.546 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 86.7 mtt180 50.44 38.22 17.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.39 19.42 8.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.6 m -64.76 130.74 94.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.604 0.716 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 101.61 0.93 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.7 2.267 . . . . 0.0 112.314 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 49.5 mm -86.91 82.04 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -107.31 -178.21 3.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.963 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 46.0 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.76 0.314 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -99.14 -55.39 2.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.546 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 1.4 t80 -57.0 -47.57 80.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.9 m -60.5 -53.47 57.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.461 ' HG2' ' CE2' ' A' ' 33' ' ' PHE . 52.7 ttt180 -57.39 -48.19 79.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.9 -49.22 77.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 70' ' ' CYS . 33.2 mmtm -58.63 -52.12 67.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 68' ' ' LYS . 5.2 ttmt -37.68 -28.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' LYS . 64.9 m -65.06 -51.74 59.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.39 -14.69 63.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -86.7 -58.08 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.4 m -53.03 -40.23 36.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 155.78 -33.34 0.62 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.545 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 74' ' ' GLY . 65.2 mtp -34.75 124.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -103.13 143.44 32.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 78' ' ' GLU . 61.7 mtt180 -74.86 -45.96 39.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 77' ' ' ARG . 14.6 pt-20 -36.77 -46.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 80' ' ' VAL . . . -56.88 -51.56 68.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.079 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.558 HG21 ' CE1' ' A' ' 22' ' ' TYR . 93.8 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.416 HD13 ' CE1' ' A' ' 25' ' ' PHE . 17.9 mt . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.775 0.322 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -108.21 162.26 14.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' ASP . 43.5 t -76.69 126.19 30.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.429 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 12.5 m -76.59 9.08 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.3 t -114.9 -54.3 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.0 p -113.52 -16.65 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.83 -11.12 66.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 10' ' ' CYS . 27.2 t70 -58.58 141.48 52.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.369 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -44.65 103.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.6 t -57.1 144.1 35.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.8 p -96.51 23.36 6.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.04 162.04 12.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.513 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 8.5 tppt? -63.54 112.64 2.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -120.88 123.9 43.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 65.45 40.14 4.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.49 15.27 70.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.451 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.43 ' NE2' ' HA3' ' A' ' 74' ' ' GLY . 5.0 tp-100 -152.33 137.46 17.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.513 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 48.0 m-85 -74.33 115.58 14.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.1 p -145.15 147.04 32.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.7 p -65.05 168.09 7.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -65.56 -25.15 67.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.27 -40.24 81.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.494 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.5 m -88.78 -28.22 20.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -57.44 -42.91 83.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.472 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 20.6 t -84.21 -37.52 21.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -62.8 -34.47 77.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.522 ' CZ ' HG23 ' A' ' 38' ' ' VAL . 58.9 t80 -69.26 -44.22 72.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.526 ' O ' ' N ' ' A' ' 37' ' ' SER . 15.3 tttp -68.85 -64.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' LYS . 2.8 ptp180 -34.83 -30.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 35' ' ' LYS . 16.8 p -92.47 -42.91 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.522 HG23 ' CZ ' ' A' ' 34' ' ' PHE . 35.1 t -69.23 -62.04 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.424 ' C ' ' HD3' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -52.78 -26.2 13.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -92.17 -21.46 20.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 73.79 33.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.44 ' CD1' ' HA ' ' A' ' 37' ' ' SER . 13.5 mt -72.19 173.15 8.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.2 m -161.6 105.65 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -89.0 142.72 27.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.5 m -102.5 108.78 20.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.136 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.9 t -78.88 93.17 4.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -52.08 -16.06 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.426 ' C ' ' H ' ' A' ' 50' ' ' ARG . . . -85.67 -171.74 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -80.16 31.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.496 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 49.6 mtm180 41.65 32.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -122.45 17.95 10.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.9 m -58.73 130.5 85.59 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.656 0.741 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 98.98 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.2 mm -83.76 98.4 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -121.71 -179.87 4.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.405 ' CD ' ' O ' ' A' ' 56' ' ' GLN . 2.4 tp-100 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 39.1 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.791 0.329 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -83.1 -50.84 8.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.496 ' CE2' ' HG2' ' A' ' 50' ' ' ARG . 25.0 t80 -59.08 -59.26 5.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.966 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 56.5 m -51.68 -48.94 63.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -59.61 -56.19 24.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.401 HD13 ' N ' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -53.33 -48.63 68.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 70' ' ' CYS . 23.9 mmmt -61.31 -48.81 79.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -39.05 -25.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 68' ' ' LYS . 72.5 m -69.25 -52.38 28.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.459 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 10.1 mt -63.66 -20.81 66.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -82.9 -53.14 6.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.429 ' CG1' ' O ' ' A' ' 11' ' ' VAL . 22.3 m -53.51 -31.8 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.475 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 146.39 -35.44 1.33 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.442 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.517 ' HE1' ' CD2' ' A' ' 34' ' ' PHE . 34.4 mmm -32.52 139.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.4 ' HE ' ' CG ' ' A' ' 78' ' ' GLU . 4.6 ptm180 -109.69 150.69 27.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.459 ' HG3' ' CD2' ' A' ' 71' ' ' LEU . 69.3 mtp180 -88.04 -36.44 16.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.4 ' CG ' ' HE ' ' A' ' 76' ' ' ARG . 11.7 pt-20 -54.12 -40.03 66.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.31 89.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.422 ' CG1' ' HB3' ' A' ' 39' ' ' ARG . 71.5 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.509 HD12 ' CD1' ' A' ' 25' ' ' PHE . 13.7 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.789 0.328 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -119.6 168.17 11.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 15' ' ' ASP . 44.6 t -83.89 123.47 29.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -73.89 7.14 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.7 t -113.27 -53.59 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.1 p -114.31 -14.89 12.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 94.28 -9.86 71.83 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.54 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 10' ' ' CYS . 10.3 t70 -59.16 140.06 56.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -44.98 107.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 t -63.72 148.23 49.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 m -89.52 -19.46 25.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 166.09 -167.22 39.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 16.6 ttmt -86.23 80.03 8.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.753 0.311 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -90.24 117.49 29.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 68.93 40.66 1.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.973 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.41 18.53 61.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -148.47 137.41 21.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.528 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 46.8 m-85 -75.34 105.44 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.8 p -138.38 149.24 45.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.0 p -67.28 170.4 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -67.89 -25.69 65.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.06 -45.47 87.14 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.8 m -84.91 -29.19 25.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -56.44 -46.68 80.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.469 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 3.3 t -79.83 -35.53 38.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -64.92 -29.6 70.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.5 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 37.0 t80 -74.09 -47.51 35.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 38' ' ' VAL . 35.7 tttp -65.31 -63.45 1.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' LYS . 11.1 ptp180 -35.85 -30.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 35' ' ' LYS . 92.3 p -95.89 -35.41 11.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.509 ' N ' ' O ' ' A' ' 35' ' ' LYS . 87.1 t -74.64 -62.13 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.44 ' C ' ' HD3' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -54.87 -26.91 38.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -91.76 -18.17 24.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 66.1 t30 65.58 41.42 4.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.1 mt -79.36 153.42 29.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.2 m -134.59 100.95 4.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.41 ' CD2' ' HB3' ' A' ' 63' ' ' GLN . 10.2 m-85 -82.08 157.78 23.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.6 m -118.77 103.44 9.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.102 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.5 t -69.04 97.5 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -54.42 -14.43 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.407 ' C ' ' H ' ' A' ' 50' ' ' ARG . . . -93.48 -173.24 3.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -81.13 28.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.511 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 28.8 mtm-85 51.19 37.81 19.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -126.67 19.26 7.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.9 m -61.41 130.42 91.82 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.616 0.722 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 106.03 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.715 2.277 . . . . 0.0 112.332 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 52.1 mm -89.76 95.44 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.74 -174.92 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.942 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 53.2 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.776 0.322 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.41 ' HB3' ' CD2' ' A' ' 44' ' ' TYR . 34.9 mt-30 -88.61 -61.36 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.511 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 8.5 t80 -50.48 -53.19 31.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.955 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.7 m -54.72 -62.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -48.16 -51.72 23.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 tp -55.85 -57.49 11.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -48.26 -50.16 30.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.66 -26.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 62.0 m -69.74 -46.58 65.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 32.3 mt -70.28 -15.54 62.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.407 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 8.2 tmtm? -89.62 -56.78 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.417 ' CG2' ' HG3' ' A' ' 75' ' ' MET . 29.6 m -50.47 -38.34 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 154.67 -32.9 0.69 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.417 ' HG3' ' CG2' ' A' ' 73' ' ' VAL . 29.2 mtp -39.84 117.78 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -102.1 136.07 42.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -61.36 -45.3 94.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -43.99 -32.37 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.59 -51.84 56.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.44 HG21 ' CG1' ' A' ' 38' ' ' VAL . 99.5 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 17' ' ' SER . 14.2 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.793 0.33 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 14' ' ' GLY . 67.1 mm-40 -103.12 167.27 9.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.507 ' N ' ' O ' ' A' ' 15' ' ' ASP . 44.3 t -83.03 124.55 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.1 m -74.95 7.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 68.8 t -113.54 -51.97 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.2 p -117.49 -15.6 10.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.402 ' O ' ' OE1' ' A' ' 9' ' ' GLU . . . 97.68 -15.6 61.66 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 10' ' ' CYS . 15.2 t0 -53.38 141.39 24.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.444 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 1.2 tppp? -46.75 103.38 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 8' ' ' ILE . 14.4 t -54.72 148.5 12.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.2 t -92.33 -21.83 20.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 169.64 -171.17 43.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -86.3 78.66 9.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -87.77 133.45 33.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 54.62 37.54 28.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.74 24.55 71.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -152.0 138.64 18.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.935 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -75.72 108.69 8.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.9 p -140.81 155.68 46.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 22.1 p -72.34 175.2 6.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -72.17 -26.79 62.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.69 -40.16 90.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.4 m -86.67 -35.91 19.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -44.37 -50.44 9.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.7 m -77.16 -45.09 27.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -49.93 -37.12 30.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -70.31 -46.63 63.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 37' ' ' SER . 12.5 ttpt -69.47 -65.34 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -36.15 -30.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 35' ' ' LYS . 77.9 p -91.55 -43.31 9.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 35' ' ' LYS . 42.0 t -70.64 -59.2 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.434 ' HD3' ' C ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -54.28 -24.66 19.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -97.78 -19.12 18.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 69.67 34.21 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.0 mt -68.5 149.18 49.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.6 m -133.21 88.5 2.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.434 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 9.6 m-85 -69.37 175.48 3.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.7 m -137.87 106.38 5.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 36.1 t -70.12 106.88 3.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -67.11 -4.03 8.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.431 ' C ' ' H ' ' A' ' 50' ' ' ARG . . . -102.03 -171.03 1.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -79.3 24.29 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.431 ' H ' ' C ' ' A' ' 48' ' ' ALA . 67.0 mtp180 53.98 33.89 18.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -124.85 21.08 8.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.9 m -60.09 127.87 86.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.655 0.741 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 84.97 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.405 HD12 ' N ' ' A' ' 66' ' ' ARG . 26.9 mm -64.5 91.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -132.09 154.51 49.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.423 ' CA ' ' OE1' ' A' ' 56' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 66' ' ' ARG . 13.8 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.78 0.324 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.434 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 81.6 mt-30 -57.67 -68.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.421 ' CD2' ' N ' ' A' ' 65' ' ' CYS . 28.3 t80 -49.12 -73.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.421 ' N ' ' CD2' ' A' ' 64' ' ' TYR . 65.2 m -37.92 -55.69 1.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.472 ' CB ' ' O ' ' A' ' 62' ' ' CYS . 1.5 tpt180 -49.91 -54.9 16.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.3 tp -53.06 -54.67 32.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm -51.16 -46.42 62.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -50.84 -22.49 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 62.0 m -74.45 -56.29 5.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.1 mt -63.4 -19.09 64.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -82.28 -53.4 6.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.402 ' CG2' ' HG3' ' A' ' 75' ' ' MET . 35.8 m -55.57 -20.23 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 136.05 -37.31 1.91 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.461 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 74' ' ' GLY . 73.0 mtp -33.37 119.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.2 ptt85 -103.21 137.6 41.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 78' ' ' GLU . 36.5 mtt180 -63.73 -46.62 84.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' ARG . 2.0 pm0 -37.23 -42.79 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 80' ' ' VAL . . . -58.86 -53.21 60.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 79' ' ' ALA . 97.8 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.696 ' CD1' ' CE1' ' A' ' 25' ' ' PHE . 9.1 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.804 0.335 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.2 mp0 -107.83 165.32 11.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.799 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.6 t -79.14 124.17 28.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.4 m -75.06 7.15 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.0 t -112.07 -55.7 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.6 p -112.14 -16.93 12.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 96.19 -6.32 66.16 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.512 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 10' ' ' CYS . 33.6 t70 -62.63 141.28 58.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.81 104.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 t -63.56 131.12 47.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 t -74.99 -22.37 58.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 165.79 163.98 20.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.489 ' HE2' ' CE2' ' A' ' 25' ' ' PHE . 6.2 tppt? -61.74 109.9 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -120.03 128.47 53.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 66.01 31.76 8.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.06 13.99 83.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.452 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -152.1 141.6 21.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.696 ' CE1' ' CD1' ' A' ' 8' ' ' ILE . 65.5 m-85 -74.52 112.13 10.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 49.5 p -144.36 139.55 28.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.2 p -55.73 168.66 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.3 -19.94 63.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.57 -39.65 55.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 77.9 m -87.49 -31.08 20.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 0.0 110.923 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -55.05 -52.53 62.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.4 m -74.2 -42.98 58.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.452 ' HA ' ' NE ' ' A' ' 36' ' ' ARG . 28.4 t80 -59.23 -28.78 67.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.541 ' CD2' ' HE1' ' A' ' 75' ' ' MET . 44.9 t80 -73.97 -46.03 46.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 37' ' ' SER . 51.5 tttt -68.94 -60.09 2.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.452 ' NE ' ' HA ' ' A' ' 33' ' ' PHE . 8.3 ptp180 -36.13 -28.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -96.58 -44.38 7.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.772 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.454 HG23 ' CZ ' ' A' ' 34' ' ' PHE . 35.1 t -65.23 -62.68 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.404 ' C ' ' HD3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -54.59 -27.21 37.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -90.12 -14.0 34.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 m120 63.82 54.85 1.72 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.484 ' CD1' ' HA ' ' A' ' 37' ' ' SER . 13.1 mt -94.9 164.04 13.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.9 m -146.76 104.98 3.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.517 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 42.7 m-85 -83.97 144.75 28.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.0 m -108.21 89.09 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.169 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.522 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 41.9 t -43.57 116.14 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.432 ' NE ' ' HA ' ' A' ' 47' ' ' ARG . 3.2 tpm_? -78.72 14.66 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -133.72 -172.51 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -79.38 41.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.53 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 62.7 mtm180 41.9 38.46 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -127.02 13.18 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.8 m -58.11 131.56 83.84 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.643 0.735 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 106.3 1.63 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.311 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.4 mm -95.62 82.74 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.0 p30 -115.34 166.14 12.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 48.6 t . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.797 0.332 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.517 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 16.7 mt-30 -92.46 -49.9 5.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.53 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 1.7 t80 -61.17 -55.99 25.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.423 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 51.6 m -51.17 -49.59 60.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.406 ' HG2' ' CE2' ' A' ' 33' ' ' PHE . 64.9 ttt180 -62.65 -65.35 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.56 -46.15 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 70' ' ' CYS . 1.3 mmmp? -62.63 -49.8 73.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -38.87 -26.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 68' ' ' LYS . 75.0 m -67.45 -48.98 65.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' LYS . 15.7 mt -69.31 -17.84 63.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -84.75 -56.42 3.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.432 ' CG2' ' HG3' ' A' ' 75' ' ' MET . 27.6 m -52.18 -41.49 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 158.64 -31.5 0.47 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.448 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.541 ' HE1' ' CD2' ' A' ' 34' ' ' PHE . 29.3 mtp -39.98 124.23 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -105.5 139.06 40.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -68.04 -36.18 79.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -57.28 -29.52 63.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.83 -27.25 61.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 81.7 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.6 mt . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.788 0.328 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -106.06 168.88 8.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 15' ' ' ASP . 47.8 t -83.97 127.84 34.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.7 m -76.25 9.53 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 66.9 t -115.93 -55.1 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.42 ' HB2' ' CA ' ' A' ' 56' ' ' GLN . 28.9 p -114.6 -14.34 12.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.31 -17.77 58.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 10' ' ' CYS . 17.5 t70 -50.41 139.71 14.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -44.82 102.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.2 t -55.02 139.54 40.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 t -82.52 -23.04 34.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 165.94 -173.78 41.54 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -82.03 84.25 7.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -98.09 122.18 40.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.507 ' CD2' ' HE3' ' A' ' 75' ' ' MET . 41.3 m-85 68.22 42.21 1.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.58 19.49 60.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -151.95 145.37 24.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -81.65 113.83 19.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.2 p -143.77 147.65 34.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.177 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.5 p -64.42 175.27 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -70.16 -30.44 67.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.87 -44.2 94.99 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 69.2 m -83.01 -37.21 24.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.934 0.397 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -46.01 -52.71 11.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.3 m -75.16 -45.1 42.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.426 ' CE2' ' HG2' ' A' ' 66' ' ' ARG . 82.5 t80 -52.23 -34.6 46.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.564 ' CD2' ' HE3' ' A' ' 75' ' ' MET . 57.9 t80 -69.53 -47.36 64.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 38' ' ' VAL . 28.3 tttt -69.33 -60.2 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.82 -26.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 35' ' ' LYS . 40.4 p -96.7 -30.57 13.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 35' ' ' LYS . 6.2 t -83.76 -59.86 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.444 ' HG2' ' CG ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -55.56 -21.47 17.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -99.04 -13.4 19.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.5 m120 63.98 42.36 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.2 mt -84.64 166.23 17.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.4 m -151.59 118.78 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.509 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 7.2 m-85 -100.5 154.47 18.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 45' ' ' THR . 3.0 t -106.22 119.15 38.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.507 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 27.5 t -69.82 114.91 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.0 mtm-85 -81.81 24.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.406 ' C ' ' H ' ' A' ' 50' ' ' ARG . . . -146.9 -174.98 4.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -77.6 41.76 0.34 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.406 ' H ' ' C ' ' A' ' 48' ' ' ALA . 75.0 mtt180 42.24 38.36 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.817 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.431 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 9.6 p30 -128.55 13.53 6.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.5 m -58.54 133.29 85.65 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.734 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 103.33 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.4 mm -92.2 81.46 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -113.55 -179.63 3.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.42 ' CA ' ' HB2' ' A' ' 13' ' ' CYS . 2.7 tp-100 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 46.0 t . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.777 0.322 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.509 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 19.8 mt-30 -86.3 -53.71 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.507 ' CD1' ' HB2' ' A' ' 46' ' ' CYS . 3.9 t80 -56.59 -59.25 5.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.415 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 41.6 m -47.4 -49.88 23.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.426 ' HG2' ' CE2' ' A' ' 33' ' ' PHE . 57.7 ttt180 -62.01 -64.8 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.427 ' CD1' ' C ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -46.18 -39.87 10.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 70' ' ' CYS . 20.5 mmtp -69.57 -50.55 43.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 68' ' ' LYS . 4.5 ttmt -38.05 -28.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.469 ' N ' ' O ' ' A' ' 68' ' ' LYS . 59.2 m -66.26 -51.77 54.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.8 mt -67.17 -14.99 63.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.01 -53.54 4.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.7 m -54.22 -39.08 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 155.93 -35.07 0.62 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.564 ' HE3' ' CD2' ' A' ' 34' ' ' PHE . 39.3 mmm -33.62 135.69 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.74 0.305 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -114.74 134.25 55.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -68.06 -43.35 78.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -42.82 -45.03 4.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.48 -46.96 76.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.3 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.575 HD13 ' CD1' ' A' ' 25' ' ' PHE . 51.4 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.783 0.325 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.421 ' N ' HG22 ' A' ' 8' ' ' ILE . 20.3 mp0 -109.86 160.49 16.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.509 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.7 t -77.33 121.34 23.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.4 m -70.55 3.04 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.402 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 93.4 t -108.51 -53.35 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 56' ' ' GLN . 29.0 p -116.63 -13.43 10.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 10' ' ' CYS . . . 95.55 -16.33 61.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 10' ' ' CYS . 47.0 t0 -51.41 138.0 22.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.875 0.369 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -42.92 97.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.2 t -47.23 139.54 6.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.8 p -90.59 22.5 3.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.43 178.42 19.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HE3' ' CD1' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -66.55 113.17 4.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.407 ' NE2' ' HD3' ' A' ' 31' ' ' LYS . 5.0 m-70 -125.01 126.02 44.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.498 ' CE1' HG21 ' A' ' 80' ' ' VAL . 39.3 m-85 57.95 32.84 22.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.87 14.72 82.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -152.02 137.4 17.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.575 ' CD1' HD13 ' A' ' 8' ' ' ILE . 39.1 m-85 -68.35 116.45 8.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -147.56 149.07 31.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.141 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.6 p -65.67 177.0 1.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.0 mp0 -75.52 -25.35 57.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.47 -41.3 90.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 79.6 m -85.25 -39.63 17.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.903 0.382 . . . . 0.0 110.912 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.407 ' HD3' ' NE2' ' A' ' 21' ' ' HIS . 8.4 ttpp -44.83 -46.3 10.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.7 t -80.35 -45.29 18.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.547 ' CE2' ' HG2' ' A' ' 66' ' ' ARG . 72.4 t80 -54.48 -28.72 46.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -74.58 -52.68 11.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 37' ' ' SER . 7.8 ttmt -60.99 -63.04 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 35' ' ' LYS . 5.3 ptp180 -34.75 -31.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 35' ' ' LYS . 74.5 p -93.75 -39.83 10.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 35' ' ' LYS . 40.5 t -70.23 -61.74 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.087 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.441 ' C ' ' HD3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -54.23 -28.4 41.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.6 mtp85 -91.33 -20.9 21.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 68.59 43.74 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.0 mt -81.9 175.63 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.0 m -160.83 105.56 1.39 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -90.66 142.19 28.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.2 m -100.74 99.26 9.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.8 t -59.61 109.16 0.85 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 39.4 tpt85 -61.65 -15.55 40.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.429 ' C ' ' H ' ' A' ' 50' ' ' ARG . . . -92.96 -172.04 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.413 ' O ' ' ND2' ' A' ' 51' ' ' ASN . 4.7 m-80 -79.36 34.54 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 50' ' ' ARG . 12.3 mtp-105 42.08 39.7 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 49' ' ' ASN . 79.6 m-20 -131.94 14.98 4.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.6 m -52.65 133.17 46.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.649 0.737 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 87.87 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.364 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.1 mm -74.4 105.03 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -139.55 -177.46 4.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 43.2 t . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.762 0.315 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -68.79 -61.04 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.524 ' CZ ' ' HG3' ' A' ' 68' ' ' LYS . 42.2 t80 -53.12 -71.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' TYR . 58.0 m -36.82 -57.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.547 ' HG2' ' CE2' ' A' ' 33' ' ' PHE . 34.9 ttt180 -53.74 -49.85 67.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.459 HD13 ' N ' ' A' ' 68' ' ' LYS . 0.3 OUTLIER -55.95 -50.3 71.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 64' ' ' TYR . 53.2 mmtt -58.96 -50.52 73.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' LYS . 6.0 ttmt -37.53 -27.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 68' ' ' LYS . 82.0 m -67.23 -52.01 46.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.431 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 20.9 mt -68.15 -12.74 61.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.424 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 7.9 tmtm? -89.94 -56.64 3.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.5 m -52.83 -38.15 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 152.14 -30.56 0.89 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 74' ' ' GLY . 63.4 mtp -35.72 122.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.7 ptt85 -100.89 135.1 42.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.431 ' HG3' ' CD2' ' A' ' 71' ' ' LEU . 69.7 mtp180 -69.47 -44.62 70.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -41.62 -36.2 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.07 -53.66 50.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.498 HG21 ' CE1' ' A' ' 22' ' ' TYR . 92.7 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.0 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.868 0.366 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -110.37 164.11 13.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 15' ' ' ASP . 41.9 t -81.74 121.23 26.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.4 m -70.24 2.0 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.418 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 57.3 t -106.33 -57.8 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.5 p -112.4 -15.39 13.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 98.2 -15.7 61.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 10' ' ' CYS . 23.2 t70 -51.81 141.02 18.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.895 0.379 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -45.81 99.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.2 t -54.28 137.74 40.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.7 p -80.06 -24.34 40.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 169.87 -169.11 41.9 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -86.78 85.95 7.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.788 0.328 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -96.52 132.08 42.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.465 ' CE1' HG21 ' A' ' 80' ' ' VAL . 30.8 m-85 58.42 41.21 23.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.05 19.77 64.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -152.24 144.3 23.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.945 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -79.88 116.29 19.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.5 p -150.47 139.81 21.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.0 p -55.79 168.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -65.97 -29.0 69.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.66 -44.74 95.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 76.1 m -83.34 -32.34 26.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -53.88 -50.39 66.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.482 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 47.9 t -76.2 -37.83 57.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -61.64 -33.88 74.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.498 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 41.3 t80 -70.69 -42.83 70.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 37' ' ' SER . 18.8 tttm -67.47 -65.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 37' ' ' SER . 7.0 ptm180 -35.01 -30.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 35' ' ' LYS . 10.1 p -89.16 -47.62 7.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.498 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 85.8 t -68.04 -62.47 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -28.65 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -93.53 -21.79 19.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.4 t30 73.83 33.1 1.03 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.2 mt -72.81 171.45 12.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.2 m -158.75 105.94 1.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -90.77 150.37 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.0 t -108.22 131.12 55.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.165 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.1 t -97.02 91.23 5.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -50.2 -17.78 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.27 -173.19 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -82.11 33.36 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.401 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 61.8 mtm180 41.35 43.16 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.494 ' CG ' ' O ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -118.76 1.83 11.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.5 m -45.28 119.3 4.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.634 0.73 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 83.84 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.309 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.2 mm -62.04 97.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -131.92 163.06 29.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 -179.893 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 53.9 t . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.793 0.33 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -89.81 -54.01 4.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.401 ' CE2' ' HG2' ' A' ' 50' ' ' ARG . 6.9 t80 -61.56 -59.57 5.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 88.9 m -49.87 -50.53 45.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -61.37 -58.13 9.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -49.59 -45.39 47.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 70' ' ' CYS . 2.9 mmmm -64.16 -49.55 71.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' LYS . 3.1 ttmt -37.08 -28.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 68' ' ' LYS . 79.4 m -66.78 -49.27 66.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' LYS . 20.8 mt -69.4 -12.28 61.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -90.05 -56.98 3.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.434 ' CG2' ' HG3' ' A' ' 75' ' ' MET . 29.1 m -54.65 -33.64 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 150.15 -34.42 1.01 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 74' ' ' GLY . 46.6 mtp -34.82 110.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.776 0.322 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -95.56 135.4 37.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.405 ' NH2' HD12 ' A' ' 71' ' ' LEU . 59.1 mtt180 -65.82 -44.18 86.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -41.79 -34.29 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.15 -52.33 42.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.074 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.465 HG21 ' CE1' ' A' ' 22' ' ' TYR . 80.7 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.8 mt . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.796 0.331 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -109.02 165.26 11.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.7 t -84.37 123.27 30.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.6 m -72.25 4.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.5 t -110.34 -54.5 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.3 p -116.55 -12.93 10.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 97.05 -21.99 43.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 10' ' ' CYS . 31.2 t70 -45.33 139.45 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.926 0.394 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -46.15 102.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.3 t -54.24 144.98 18.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.9 t -89.73 -12.76 38.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 157.32 -170.49 34.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.487 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.511 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 16.9 ttmt -84.85 78.65 9.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.33 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -88.46 135.53 33.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.546 ' CE1' HG21 ' A' ' 80' ' ' VAL . 25.2 m-85 55.17 34.69 23.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.76 22.37 76.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -152.05 144.81 24.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.909 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.511 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 46.4 m-85 -79.37 110.9 15.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.6 p -143.86 160.28 41.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.9 p -76.08 177.54 7.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -73.82 -28.61 61.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.27 -40.5 94.75 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 76.4 m -86.24 -37.26 18.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -47.39 -53.59 13.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.0 t -75.29 -46.18 35.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.546 ' CE2' ' HD3' ' A' ' 66' ' ' ARG . 61.8 t80 -50.12 -33.2 18.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.482 ' CE1' ' CG2' ' A' ' 38' ' ' VAL . 43.5 t80 -74.92 -46.95 32.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.3 ttpm? -64.47 -63.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' LYS . 2.5 ptm180 -38.03 -26.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 35' ' ' LYS . 65.4 p -98.28 -39.35 8.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.482 ' CG2' ' CE1' ' A' ' 34' ' ' PHE . 73.0 t -73.94 -57.35 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.431 ' C ' ' HD3' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -58.95 -23.87 61.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.416 ' C ' ' OD1' ' A' ' 41' ' ' ASN . 28.8 mtt180 -97.24 -20.55 17.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.416 ' OD1' ' C ' ' A' ' 40' ' ' ARG . 1.1 m120 68.69 54.81 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.4 mt -94.62 177.09 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.3 m -154.23 115.82 4.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -94.96 135.44 36.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 46' ' ' CYS . 21.4 m -98.54 87.59 3.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.493 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 45.4 t -37.83 114.4 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -77.86 11.07 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -129.24 -172.71 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.449 ' O ' ' CG ' ' A' ' 51' ' ' ASN . 17.6 m-80 -79.55 39.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.472 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 67.0 mtp180 40.63 37.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 49' ' ' ASN . 63.4 m-20 -124.68 13.15 8.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.9 m -59.1 127.31 83.68 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.637 0.732 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 89.39 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.73 2.287 . . . . 0.0 112.314 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.404 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 50.0 mm -71.38 98.75 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -147.06 160.63 42.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' A' ' 56' ' ' GLN . 2.3 tp-100 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 35.4 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.793 0.33 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -87.52 -47.83 8.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.493 ' CD2' ' HB2' ' A' ' 46' ' ' CYS . 7.2 t80 -66.45 -66.86 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.48 ' N ' ' CD2' ' A' ' 64' ' ' TYR . 81.8 m -40.96 -45.38 2.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.546 ' HD3' ' CE2' ' A' ' 33' ' ' PHE . 13.8 ttt180 -68.89 -45.1 71.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.75 -48.56 79.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 70' ' ' CYS . 13.4 mmmm -63.19 -50.92 68.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -38.44 -26.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 68' ' ' LYS . 77.6 m -68.77 -48.36 63.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' LYS . 31.4 mt -69.51 -13.9 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.409 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 1.7 tmtp? -87.66 -58.13 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.424 ' CG2' ' HG3' ' A' ' 75' ' ' MET . 28.5 m -50.83 -37.56 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 152.41 -33.42 0.84 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.424 ' HG3' ' CG2' ' A' ' 73' ' ' VAL . 47.2 mtp -35.67 111.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.721 0.296 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -96.56 131.4 43.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.0 mtm180 -57.49 -47.47 81.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -41.25 -40.24 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.33 -50.1 74.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.063 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.546 HG21 ' CE1' ' A' ' 22' ' ' TYR . 55.4 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.559 ' CD1' ' CE1' ' A' ' 25' ' ' PHE . 39.3 mt . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.744 0.307 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -111.99 166.86 10.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.2 t -81.37 120.61 25.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.0 m -69.66 1.81 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.407 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 49.7 t -106.11 -55.15 5.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.7 p -112.76 -17.75 12.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 10' ' ' CYS . . . 97.18 -7.01 64.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.473 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 10' ' ' CYS . 21.5 t70 -64.01 139.85 58.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.9 0.381 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.83 104.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.8 t -61.95 141.85 57.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.0 t -82.67 -25.19 33.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.71 167.84 31.64 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 9.9 ttmm -70.71 79.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.562 ' CD2' ' HG3' ' A' ' 31' ' ' LYS . 3.4 t60 -90.01 136.2 33.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.449 ' CE2' ' HD2' ' A' ' 21' ' ' HIS . 35.8 m-85 58.9 46.45 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.19 16.08 47.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 21' ' ' HIS . 5.4 tp-100 -149.88 155.24 39.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CE1' ' CD1' ' A' ' 8' ' ' ILE . 38.2 m-85 -89.83 115.65 27.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.2 p -140.49 151.84 45.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.5 p -73.07 176.44 5.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -73.15 -18.68 61.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.58 -39.16 30.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.464 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 72.3 m -90.3 -37.74 13.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.919 0.39 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.562 ' HG3' ' CD2' ' A' ' 21' ' ' HIS . 14.5 ttpt -42.47 -45.41 4.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 93.1 p -82.21 -45.47 15.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.4 ' CB ' HH21 ' A' ' 66' ' ' ARG . 62.1 t80 -49.94 -35.09 22.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.827 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.469 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 53.0 t80 -72.78 -45.89 56.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 36' ' ' ARG . 14.3 ttpt -68.04 -64.29 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.403 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 4.2 ptp180 -39.46 -30.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.7 p -89.15 -41.26 12.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 34' ' ' PHE . 85.2 t -72.9 -60.19 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.494 ' HG3' ' N ' ' A' ' 40' ' ' ARG . 2.0 ptp180 -50.12 -33.98 20.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.494 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 26.7 mtp180 -91.39 -18.08 24.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.831 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.1 m120 67.64 36.13 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.8 mt -67.36 172.64 4.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.5 m -153.46 109.3 3.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.52 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 4.7 m-85 -96.05 155.78 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 45' ' ' THR . 1.9 t -109.37 121.16 44.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.185 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 44.2 t -73.18 117.73 15.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.807 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.2 mtt85 -80.75 19.58 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -141.64 -174.97 4.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -78.07 42.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 43.61 32.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -124.08 14.98 9.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.3 m -56.26 128.68 73.27 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.647 0.737 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 89.24 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.343 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.3 mm -71.35 109.19 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -133.85 177.78 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.929 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 52.4 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.726 0.298 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.52 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 36.1 mt-30 -86.1 -57.5 3.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.493 ' CZ ' ' HG3' ' A' ' 68' ' ' LYS . 18.7 t80 -56.82 -61.5 2.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 57.7 m -47.51 -57.17 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.4 HH21 ' CB ' ' A' ' 33' ' ' PHE . 40.7 ttt180 -49.93 -50.0 47.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.402 ' HG ' ' N ' ' A' ' 68' ' ' LYS . 1.5 tp -58.09 -57.94 10.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.493 ' HG3' ' CZ ' ' A' ' 64' ' ' TYR . 25.2 mmmt -49.77 -49.78 47.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.3 -25.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.483 ' N ' ' O ' ' A' ' 68' ' ' LYS . 56.2 m -75.73 -48.87 20.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' LYS . 39.0 mt -67.58 -9.79 46.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -95.98 -58.28 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.1 m -48.08 -36.11 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 151.75 -26.1 0.94 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 69.0 mtp -50.1 116.99 2.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.747 0.308 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.439 ' HB2' ' CD ' ' A' ' 78' ' ' GLU . 26.6 ptt180 -98.57 160.07 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -83.49 -47.46 11.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.439 ' CD ' ' HB2' ' A' ' 76' ' ' ARG . 17.0 pm0 -42.58 -28.97 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.54 -51.28 52.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.3 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.571 HD11 ' CE1' ' A' ' 25' ' ' PHE . 18.1 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.728 0.299 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -104.03 168.27 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 15' ' ' ASP . 49.7 t -84.01 127.16 33.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.9 m -75.83 9.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.4 t -115.53 -57.65 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.6 p -110.33 -16.45 13.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.92 -14.59 62.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.52 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 10' ' ' CYS . 36.8 t0 -55.67 141.82 36.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.919 0.39 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.91 104.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 8' ' ' ILE . 13.6 t -51.48 143.54 11.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.0 p -101.39 29.69 4.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.98 176.59 15.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -89.0 79.34 7.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.793 0.33 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -90.92 128.56 36.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.826 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.539 ' CE1' HG23 ' A' ' 80' ' ' VAL . 25.4 m-85 67.63 38.62 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.02 22.51 62.68 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.507 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -151.48 142.32 22.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.934 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CE1' HD11 ' A' ' 8' ' ' ILE . 19.1 m-85 -77.65 105.94 9.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.2 p -137.64 150.96 47.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.3 p -69.98 170.68 10.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -65.81 -35.13 79.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.39 -38.86 96.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 75.0 m -87.87 -39.0 15.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.361 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -44.26 -50.87 8.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.1 t -77.7 -47.93 17.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.8 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -47.49 -36.91 10.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -70.49 -50.42 38.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 38' ' ' VAL . 14.8 ttpt -62.97 -62.65 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' LYS . 8.3 ptm180 -37.93 -28.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 35' ' ' LYS . 59.9 p -94.93 -35.16 12.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 35' ' ' LYS . 94.9 t -77.42 -67.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.413 ' HD3' ' C ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -47.82 -27.42 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -93.26 -20.47 20.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' VAL . 10.5 t-20 70.64 32.31 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.7 mt -66.92 169.99 7.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.8 m -151.88 109.99 3.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -93.82 149.29 21.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.0 m -112.65 97.88 6.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.137 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.4 t -58.89 106.11 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -62.54 -8.02 5.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.95 -173.46 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -80.95 35.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.427 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 46.7 mtt-85 44.67 39.57 3.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 51.9 p30 -130.04 17.11 5.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.5 m -60.96 132.73 92.21 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 103.45 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.682 2.255 . . . . 0.0 112.358 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 25.5 mm -85.04 115.86 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.168 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.6 p30 -150.84 171.69 16.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.894 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 49.3 t . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.809 0.337 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -84.8 -60.63 2.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.53 ' CD1' ' N ' ' A' ' 65' ' ' CYS . 2.4 t80 -54.02 -63.66 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.53 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 64.2 m -43.78 -61.12 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -49.03 -47.88 44.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.0 tp -57.41 -56.84 16.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -48.47 -47.38 38.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -45.02 -24.99 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.0 m -73.04 -53.43 11.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.5 mt -64.56 -11.83 38.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.431 ' HD2' ' N ' ' A' ' 73' ' ' VAL . 0.6 OUTLIER -93.04 -59.62 2.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.431 ' N ' ' HD2' ' A' ' 72' ' ' LYS . 24.1 m -44.96 -31.86 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 147.58 -30.27 1.42 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 74.2 mtp -41.85 117.66 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -102.0 144.43 30.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 78' ' ' GLU . 89.9 mtm-85 -70.68 -48.03 56.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 77' ' ' ARG . 10.8 pt-20 -34.62 -44.65 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.412 ' N ' ' HG3' ' A' ' 78' ' ' GLU . . . -60.55 -53.45 57.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.539 HG23 ' CE1' ' A' ' 22' ' ' TYR . 61.7 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.9 mt . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.774 0.321 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.7 170.0 8.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 15' ' ' ASP . 43.6 t -80.62 125.47 30.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.7 m -75.11 7.69 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.7 t -113.66 -53.39 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 56' ' ' GLN . 26.6 p -113.58 -17.32 12.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 95.49 -4.39 66.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.451 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 10' ' ' CYS . 21.8 t70 -66.62 139.93 57.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -41.02 107.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 t -60.9 149.02 37.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.0 p -100.9 15.84 27.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.28 172.29 13.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -73.86 76.76 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -83.82 118.9 24.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.488 ' CD2' ' HE1' ' A' ' 75' ' ' MET . 30.5 m-85 70.09 40.28 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.69 15.42 64.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.426 ' NE2' ' HA3' ' A' ' 74' ' ' GLY . 5.6 tp-100 -146.13 148.57 32.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.941 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -83.26 104.89 13.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.1 p -138.1 154.06 49.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.6 p -71.39 173.32 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -69.37 -30.65 68.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.56 -45.33 96.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 61.3 m -83.74 -37.4 22.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.929 0.395 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -45.1 -55.44 5.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -71.44 -42.98 67.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.447 ' CE2' ' HG2' ' A' ' 66' ' ' ARG . 74.1 t80 -52.97 -35.27 58.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.558 ' CZ ' HG23 ' A' ' 38' ' ' VAL . 42.5 t80 -70.19 -47.01 63.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.563 ' HG2' ' N ' ' A' ' 36' ' ' ARG . 11.4 ttmt -65.0 -67.87 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.563 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 5.8 ptm180 -34.99 -31.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.817 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 35' ' ' LYS . 35.5 p -89.9 -41.97 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.558 HG23 ' CZ ' ' A' ' 34' ' ' PHE . 28.8 t -70.56 -57.4 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.493 ' HG3' ' N ' ' A' ' 40' ' ' ARG . 1.3 ptp180 -54.02 -33.28 56.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.493 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 26.0 mtp180 -90.79 -19.13 23.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 m120 69.21 38.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.6 mt -72.71 167.92 19.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 89.9 m -152.13 111.04 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -99.72 158.14 15.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.0 t -113.48 140.09 48.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.1 t -105.24 97.38 7.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -51.93 -16.61 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.433 ' C ' ' H ' ' A' ' 50' ' ' ARG . . . -88.24 -172.41 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -79.57 23.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.448 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 80.7 mtt85 53.88 39.54 30.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -130.46 20.23 5.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.3 m -59.63 128.17 85.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.626 0.726 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 90.52 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.246 . . . . 0.0 112.354 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.2 mm -71.96 93.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -114.26 -173.74 2.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 13' ' ' CYS . 3.7 tp-100 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.7 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.769 0.318 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -56.07 -68.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.528 ' CD2' ' N ' ' A' ' 65' ' ' CYS . 18.5 t80 -47.55 -72.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.528 ' N ' ' CD2' ' A' ' 64' ' ' TYR . 36.3 m -36.45 -50.16 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.447 ' HG2' ' CE2' ' A' ' 33' ' ' PHE . 27.0 ttt180 -59.13 -63.48 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.6 -51.81 14.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.525 ' HG3' ' CZ ' ' A' ' 64' ' ' TYR . 1.3 mmmp? -58.86 -51.87 68.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -37.03 -28.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 68' ' ' LYS . 70.8 m -65.17 -53.27 47.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.452 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 11.9 mt -66.17 -9.97 36.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -94.11 -56.97 2.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 26.6 m -52.72 -35.34 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.426 ' HA3' ' NE2' ' A' ' 24' ' ' GLN . . . 150.32 -29.79 1.08 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.521 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.493 ' HE1' ' CD2' ' A' ' 34' ' ' PHE . 33.1 mmm -41.47 132.15 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.82 0.343 . . . . 0.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -109.31 148.12 31.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.452 ' HG3' ' CD2' ' A' ' 71' ' ' LEU . 43.3 mtp180 -79.77 -38.05 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -50.68 -30.44 13.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.63 -50.74 48.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 80.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.931 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.6 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.776 0.322 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -111.76 163.97 13.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.5 t -79.04 125.32 29.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.1 m -75.01 6.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.427 HG11 ' NE ' ' A' ' 66' ' ' ARG . 83.0 t -112.29 -54.32 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.436 ' HB2' ' CA ' ' A' ' 56' ' ' GLN . 29.0 p -115.96 -14.1 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 96.72 -15.6 62.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 10' ' ' CYS . 36.6 t0 -50.48 140.06 14.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.366 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -47.89 107.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.3 t -63.58 143.1 58.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.4 p -89.41 -14.23 35.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 161.14 -177.24 37.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 5.3 ttmm -77.28 95.48 4.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -104.26 124.36 49.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 62.36 44.69 7.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.69 19.01 57.78 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.53 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -151.73 141.51 21.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.341 . . . . 0.0 110.932 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.407 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 38.7 m-85 -76.97 107.66 9.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.6 p -140.37 146.13 38.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.4 p -64.22 164.53 10.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -63.5 -30.24 71.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.96 -35.95 91.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.43 ' HB3' ' NH2' ' A' ' 66' ' ' ARG . 83.0 m -88.02 -39.11 14.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -48.37 -47.71 37.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 85.3 p -72.38 -54.22 10.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.551 ' CE1' ' HG3' ' A' ' 66' ' ' ARG . 3.6 t80 -46.27 -37.07 6.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.475 ' CE1' ' CG2' ' A' ' 38' ' ' VAL . 42.8 t80 -67.26 -50.52 60.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 37' ' ' SER . 18.2 ttpt -60.94 -63.9 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' LYS . 13.6 ptt180 -36.95 -28.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 35' ' ' LYS . 95.9 p -96.71 -35.53 10.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' LYS . 73.4 t -75.02 -56.01 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.433 ' C ' ' HD3' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -60.49 -24.85 65.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.8 mtt180 -97.56 -18.13 19.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.1 m120 65.39 53.79 1.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.1 mt -93.19 143.2 26.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.1 m -126.09 86.96 2.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.504 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 20.6 m-85 -60.75 149.62 35.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.4 m -105.35 99.65 9.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.162 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.487 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 51.0 t -59.08 110.29 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.01 19.35 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -133.26 -171.83 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 51' ' ' ASN . 6.1 m120 -79.09 40.76 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.505 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 43.9 mtm180 37.56 30.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.4 p-10 -120.41 14.28 11.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.4 m -58.04 129.99 82.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.588 0.709 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 112.54 3.11 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.359 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.3 mm -96.55 99.31 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -132.35 -178.05 4.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.436 ' CA ' ' HB2' ' A' ' 13' ' ' CYS . 3.3 tp-100 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.3 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.814 0.34 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.504 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 77.0 mt-30 -76.8 -62.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.566 ' CD1' ' N ' ' A' ' 65' ' ' CYS . 2.9 t80 -52.88 -66.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.566 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 39.9 m -38.88 -48.26 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.551 ' HG3' ' CE1' ' A' ' 33' ' ' PHE . 2.6 tpt180 -64.15 -64.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.432 ' CD1' ' C ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -43.17 -39.67 2.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.487 ' HG3' ' CE2' ' A' ' 64' ' ' TYR . 49.0 mmtt -71.72 -40.32 69.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.83 -24.19 8.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 86.3 m -67.96 -52.92 30.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.11 -25.99 68.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 7.5 tmtt? -75.48 -55.78 5.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.453 ' CG2' ' HG3' ' A' ' 75' ' ' MET . 27.3 m -53.78 -26.34 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 139.8 -35.1 1.96 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.453 ' HG3' ' CG2' ' A' ' 73' ' ' VAL . 59.3 mtp -36.58 117.88 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.738 0.304 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 76' ' ' ARG . 4.7 ptp180 -99.66 137.11 38.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -61.18 -50.09 74.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -40.72 -35.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.95 -50.04 75.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.461 HG21 ' CG1' ' A' ' 38' ' ' VAL . 70.6 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.166 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.534 HD13 ' CD1' ' A' ' 25' ' ' PHE . 11.0 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.803 0.335 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -122.89 168.82 11.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 15' ' ' ASP . 47.3 t -84.01 120.18 25.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.4 m -70.46 2.52 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.8 t -106.67 -50.9 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.7 p -117.3 -16.99 10.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 10' ' ' CYS . . . 95.41 -7.05 68.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.517 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 10' ' ' CYS . 25.7 t0 -63.46 139.49 58.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.27 107.44 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.4 t -63.54 146.48 53.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.0 t -88.77 -16.31 32.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.44 -179.72 39.06 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.456 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.519 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 15.7 ttmt -78.37 84.25 4.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.758 0.313 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -92.36 116.6 29.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 68.19 47.66 0.99 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.19 19.34 51.71 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -151.98 143.19 23.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.954 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.534 ' CD1' HD13 ' A' ' 8' ' ' ILE . 68.5 m-85 -82.79 111.78 19.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.8 p -142.33 138.48 31.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.8 p -53.49 174.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -73.78 -25.23 60.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.07 -40.46 93.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 59.6 m -89.77 -28.44 19.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -55.35 -45.02 76.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.457 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 2.6 m -81.78 -29.8 32.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.554 ' CE2' ' HD3' ' A' ' 66' ' ' ARG . 92.6 t80 -66.2 -34.69 78.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.431 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 43.5 t80 -72.14 -43.15 65.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.431 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 36.8 tttt -67.44 -64.06 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -45.11 -22.47 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.822 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.5 p -94.2 -40.03 10.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.828 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.431 ' CG2' ' O ' ' A' ' 34' ' ' PHE . 95.2 t -78.17 -57.89 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.438 ' HB2' ' NH1' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -52.55 -29.72 26.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 -95.55 -21.07 18.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 74.68 32.09 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.32 141.82 54.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.1 m -130.9 87.54 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.193 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -69.17 153.88 42.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.2 m -106.06 133.8 50.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 50.0 t -99.08 94.61 6.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -11.43 2.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.85 -173.84 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -82.58 34.53 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.491 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 64.7 mtm180 43.55 34.74 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -120.98 16.82 11.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.6 m -60.32 123.94 75.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.67 0.748 . . . . 0.0 110.81 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 85.3 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.34 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.8 mm -65.39 111.55 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -139.63 178.84 6.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.911 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 49.6 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.842 0.353 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -99.41 -56.44 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.491 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -61.06 -54.88 39.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.963 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.443 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 56.5 m -51.01 -54.02 28.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.554 ' HD3' ' CE2' ' A' ' 33' ' ' PHE . 44.5 ttt180 -57.87 -51.29 70.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.01 -44.04 74.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 70' ' ' CYS . 32.4 mmtt -66.55 -49.98 64.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -39.27 -25.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 68' ' ' LYS . 76.1 m -69.41 -49.68 52.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 mt -70.8 -8.89 55.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.417 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 10.4 tmtt? -91.04 -54.22 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.424 ' CG2' ' HG3' ' A' ' 75' ' ' MET . 30.4 m -54.7 -38.28 42.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 153.69 -29.61 0.75 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.424 ' HE2' ' CD2' ' A' ' 34' ' ' PHE . 44.2 mtp -37.19 121.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.732 0.301 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -102.13 138.64 38.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 47.3 mtm180 -70.43 -41.83 72.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -43.25 -36.31 1.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.16 -47.68 73.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.498 HD11 ' CD1' ' A' ' 25' ' ' PHE . 14.7 mt . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.787 0.327 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -108.58 161.5 15.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.1 t -76.61 120.42 21.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.4 m -69.72 2.22 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.404 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 47.6 t -106.6 -56.92 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.42 ' HB2' ' C ' ' A' ' 55' ' ' ASP . 28.4 p -113.25 -15.05 12.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 98.12 -17.32 58.83 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.456 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 10' ' ' CYS . 27.6 t70 -50.41 139.3 15.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -46.72 103.99 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.1 t -56.43 146.42 24.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.823 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.7 t -91.93 -13.14 31.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.87 -171.43 36.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.526 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 20.2 ttmt -86.06 84.25 7.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.339 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -96.61 124.71 40.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.538 ' CE1' HG21 ' A' ' 80' ' ' VAL . 31.9 m-85 67.08 37.4 3.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.83 16.03 65.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.495 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -146.53 146.38 30.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.888 0.375 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.526 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 40.9 m-85 -82.11 108.35 15.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.4 p -139.91 158.76 43.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.7 p -74.9 165.8 24.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -63.44 -26.17 68.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.97 -42.45 85.3 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.8 m -85.62 -32.01 22.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.946 0.403 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -51.34 -54.17 28.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t -72.51 -46.54 54.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -49.57 -35.77 21.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.42 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 53.5 t80 -71.93 -46.47 57.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 38' ' ' VAL . 21.2 tttm -64.61 -66.07 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.457 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 5.6 ptm180 -38.01 -26.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 35' ' ' LYS . 89.9 p -95.08 -33.85 12.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.541 ' N ' ' O ' ' A' ' 35' ' ' LYS . 84.6 t -82.83 -58.72 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.479 ' HG2' ' CG ' ' A' ' 35' ' ' LYS . 2.8 ppt_? -53.56 -27.52 26.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.457 ' HG3' ' NE ' ' A' ' 39' ' ' ARG . 25.9 mtp180 -95.02 -22.06 18.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 71.94 40.89 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.4 mt -77.25 170.5 16.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.0 m -149.55 119.22 7.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.562 ' CD2' ' HB3' ' A' ' 63' ' ' GLN . 10.3 m-85 -103.6 162.06 13.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.001 0.429 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.5 m -122.56 101.83 7.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.4 t -57.54 110.52 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -64.02 -12.2 36.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.417 ' C ' ' H ' ' A' ' 50' ' ' ARG . . . -102.25 -172.23 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -80.51 31.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.417 ' H ' ' C ' ' A' ' 48' ' ' ALA . 15.9 mtm180 53.14 36.72 23.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -127.36 22.84 6.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.4 m -67.1 122.29 82.03 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 89.77 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.2 mm -67.08 107.76 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.42 ' C ' ' HB2' ' A' ' 13' ' ' CYS . 6.2 t0 -126.59 -173.9 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.92 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.761 0.315 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.562 ' HB3' ' CD2' ' A' ' 44' ' ' TYR . 17.6 mt-30 -61.32 -66.8 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.542 ' CD2' ' N ' ' A' ' 65' ' ' CYS . 14.1 t80 -49.35 -72.15 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.542 ' N ' ' CD2' ' A' ' 64' ' ' TYR . 47.9 m -37.49 -59.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -49.28 -52.98 24.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 tp -57.62 -58.98 5.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.509 ' HG3' ' CZ ' ' A' ' 64' ' ' TYR . 19.8 mmtt -48.83 -44.96 39.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.72 -29.94 5.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 77.7 m -67.09 -50.84 60.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.64 -21.44 65.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -81.99 -59.4 2.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.8 m -50.54 -28.15 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 144.44 -36.71 1.44 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 74' ' ' GLY . 59.2 mtp -35.34 116.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.75 0.31 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -98.71 147.24 25.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -73.61 -40.5 63.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.9 pm0 -53.43 -30.52 40.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.03 -46.2 82.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.538 HG21 ' CE1' ' A' ' 22' ' ' TYR . 40.9 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.3 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.82 0.343 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -104.61 162.8 12.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 15' ' ' ASP . 44.9 t -79.12 126.34 30.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.3 m -75.09 7.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.0 t -112.62 -56.03 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.404 ' HB2' ' CA ' ' A' ' 56' ' ' GLN . 29.5 p -114.31 -14.21 12.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.23 -20.4 50.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.539 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 10' ' ' CYS . 35.5 t0 -47.43 140.47 5.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 11.3 tmtt? -45.6 100.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 t -54.89 134.89 48.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.9 p -75.8 -22.28 56.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.99 -173.33 39.18 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -78.66 87.34 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -98.22 128.5 44.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CD2' ' HE3' ' A' ' 75' ' ' MET . 15.5 m-85 59.27 41.22 20.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.54 18.48 65.79 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -149.98 146.82 27.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -81.53 108.98 15.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.8 p -140.41 142.47 35.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.5 p -63.47 160.12 17.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.18 -39.21 59.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.23 -46.15 93.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.552 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 78.3 m -83.54 -19.28 35.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.897 0.379 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.489 ' HD2' ' N ' ' A' ' 32' ' ' SER . 2.9 tmmm? -64.6 -49.63 70.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.489 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 58.9 p -81.93 -38.14 25.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -58.57 -30.65 67.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.548 ' CD2' ' HE3' ' A' ' 75' ' ' MET . 59.9 t80 -75.03 -48.98 21.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' SER . 28.7 tttt -67.23 -62.48 1.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 35' ' ' LYS . 16.6 ptt180 -34.76 -34.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 35' ' ' LYS . 11.5 p -84.29 -50.96 7.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.97 -58.36 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.414 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -51.03 -30.0 14.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.4 ' HG3' ' CD ' ' A' ' 39' ' ' ARG . 21.8 mtp180 -93.44 -12.61 29.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.5 m120 64.28 40.47 6.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.4 mt -81.5 175.34 10.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.9 m -162.38 112.79 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.402 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 7.9 m-85 -92.2 143.79 26.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.1 m -102.51 101.26 11.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.486 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 52.5 t -61.01 109.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.28 -8.44 46.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.418 ' C ' ' H ' ' A' ' 50' ' ' ARG . . . -99.33 -172.0 2.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -79.98 34.5 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.43 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 72.3 mtt-85 44.32 29.75 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.78 22.26 10.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.9 m -63.96 130.27 94.39 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.621 0.724 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 105.27 1.45 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.352 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 50.2 mm -86.45 113.6 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.155 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -143.88 178.99 7.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.404 ' CA ' ' HB2' ' A' ' 13' ' ' CYS . 1.5 tp-100 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 53.6 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.402 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 21.7 mt-30 -91.53 -56.56 3.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.954 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.523 ' CD1' ' N ' ' A' ' 65' ' ' CYS . 0.9 OUTLIER -59.63 -59.75 4.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.868 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.523 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 66.0 m -47.83 -53.43 15.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -58.48 -55.95 28.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.53 -46.04 57.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 70' ' ' CYS . 59.1 mmtt -63.01 -52.14 64.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' LYS . 4.9 ttmt -36.21 -29.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 68' ' ' LYS . 64.4 m -62.75 -57.66 10.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.444 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 9.8 mt -60.73 -17.76 50.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -83.77 -59.43 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.438 HG22 ' N ' ' A' ' 74' ' ' GLY . 35.1 m -48.13 -26.39 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.479 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 140.8 -35.5 1.85 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.472 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.572 ' HE3' ' CD2' ' A' ' 22' ' ' TYR . 33.8 mmm -32.15 139.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.838 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -113.51 149.28 34.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.444 ' HG3' ' CD2' ' A' ' 71' ' ' LEU . 17.9 mtm105 -85.11 -35.97 21.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -49.47 -39.15 32.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 80' ' ' VAL . . . -66.14 -50.24 64.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' ALA . 77.9 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.9 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.799 0.333 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -109.88 164.15 12.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 15' ' ' ASP . 49.8 t -80.73 126.14 30.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.8 m -74.83 8.28 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.4 t -114.68 -54.58 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 56' ' ' GLN . 29.3 p -116.44 -12.89 10.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.89 -22.95 38.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 10' ' ' CYS . 19.8 t70 -43.85 138.71 2.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.895 0.379 . . . . 0.0 110.824 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -47.18 106.07 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.9 t -63.09 134.59 56.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 m -78.43 -16.93 57.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.54 -166.75 37.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 22.2 ttmt -86.02 83.17 7.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.939 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 24' ' ' GLN . 14.0 m-70 -89.88 119.45 30.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.575 ' CD2' ' HE2' ' A' ' 75' ' ' MET . 44.9 m-85 69.0 37.98 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.12 16.78 73.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.456 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 21' ' ' HIS . 4.0 tp-100 -148.84 152.31 36.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.353 . . . . 0.0 110.911 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.412 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 43.0 m-85 -84.96 102.21 12.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.1 p -136.34 144.34 44.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.144 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.9 p -62.12 173.76 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -69.53 -31.85 70.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.3 -40.06 98.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.503 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.2 m -87.09 -35.51 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.964 0.411 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -47.41 -56.78 6.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t -71.63 -45.42 62.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -50.96 -35.6 34.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -69.8 -47.13 63.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 38' ' ' VAL . 35.4 tttt -64.7 -59.59 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -43.43 -31.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.442 ' HA ' ' CD1' ' A' ' 42' ' ' LEU . 22.4 p -86.33 -30.3 22.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 35' ' ' LYS . 87.0 t -87.08 -61.46 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.48 ' HE ' ' C ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -45.97 -35.17 4.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.476 ' CG ' ' HD3' ' A' ' 39' ' ' ARG . 13.9 mtp180 -91.26 -18.55 24.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 71.4 39.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 37' ' ' SER . 10.5 mt -73.93 171.51 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.5 m -156.15 107.42 2.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.549 ' CD2' ' HB3' ' A' ' 63' ' ' GLN . 10.2 m-85 -87.18 140.55 29.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 26.4 m -103.43 87.95 2.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.474 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 49.6 t -44.76 113.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -79.71 13.2 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.08 -171.36 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 51' ' ' ASN . 6.6 m120 -78.5 41.15 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.565 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 78.1 mtt85 37.06 30.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 49' ' ' ASN . 51.6 p-10 -120.13 15.77 12.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.1 m -57.39 133.0 81.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.731 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 96.49 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.5 mm -84.53 89.39 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -130.64 168.45 17.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 13' ' ' CYS . 2.1 tp-100 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.81 0.338 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.549 ' HB3' ' CD2' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -96.46 -51.51 4.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.565 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 1.0 OUTLIER -64.98 -57.49 8.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.846 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.494 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 86.8 m -49.83 -47.42 51.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -62.84 -59.96 4.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.65 -49.11 48.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.516 ' HG3' ' CE2' ' A' ' 64' ' ' TYR . 1.0 OUTLIER -64.04 -47.14 81.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -39.51 -26.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 68' ' ' LYS . 71.5 m -68.85 -53.41 21.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.404 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 11.6 mt -62.32 -17.15 57.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -85.55 -60.36 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 31.4 m -48.77 -38.86 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 156.08 -34.13 0.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.468 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.575 ' HE2' ' CD2' ' A' ' 22' ' ' TYR . 30.4 mmm -33.39 138.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.739 0.304 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -117.63 143.55 46.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.837 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.404 ' HG3' ' CD2' ' A' ' 71' ' ' LEU . 89.1 mtt180 -77.54 -40.28 43.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -46.94 -27.49 1.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.2 -45.8 46.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.3 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.485 HD13 ' CE1' ' A' ' 25' ' ' PHE . 12.3 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.833 0.349 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -106.61 169.03 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' ASP . 49.0 t -83.13 126.45 32.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.1 m -75.83 8.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.6 t -114.83 -54.87 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.7 p -112.38 -17.99 12.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.68 -12.11 62.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 10' ' ' CYS . 38.7 t70 -60.07 141.65 55.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.368 . . . . 0.0 110.841 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -40.79 109.88 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' ILE . 12.2 t -58.23 141.28 51.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.454 ' CB ' ' HG3' ' A' ' 28' ' ' GLU . 50.7 p -100.35 29.5 4.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.97 164.68 12.89 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.523 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 17.3 ttmt -79.39 78.74 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.444 ' CD2' ' HG3' ' A' ' 31' ' ' LYS . 80.4 m-70 -87.28 123.14 31.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 71.07 42.66 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.25 21.62 57.04 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -150.14 146.71 27.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 0.0 110.953 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.523 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 18.6 m-85 -84.1 111.48 19.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.4 p -143.64 149.61 37.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.17 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 23.2 p -66.84 173.23 3.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.454 ' HG3' ' CB ' ' A' ' 18' ' ' SER . 38.6 mt-10 -69.35 -25.37 64.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.86 -44.22 70.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.461 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 63.6 m -84.49 -32.38 24.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.959 0.409 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -51.66 -50.03 61.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.477 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 78.2 p -78.12 -38.71 43.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -58.72 -33.73 70.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.561 ' CZ ' HG22 ' A' ' 38' ' ' VAL . 47.6 t80 -72.12 -44.72 62.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 37' ' ' SER . 6.2 ttmt -65.7 -66.79 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 37' ' ' SER . 4.6 ptm180 -36.14 -29.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 35' ' ' LYS . 83.9 p -91.66 -43.39 9.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.561 HG22 ' CZ ' ' A' ' 34' ' ' PHE . 79.4 t -70.75 -65.58 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.165 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.458 ' C ' ' HD3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -49.0 -24.76 1.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 36' ' ' ARG . 59.1 mtp85 -95.01 -21.34 18.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 70.82 36.03 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.416 ' CD1' ' HA ' ' A' ' 37' ' ' SER . 12.5 mt -72.7 172.36 10.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.4 m -157.6 105.79 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.492 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 22.5 m-85 -89.37 142.81 27.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.8 m -99.9 90.71 4.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.575 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 41.6 t -38.18 119.35 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -81.06 18.25 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.403 ' C ' ' H ' ' A' ' 50' ' ' ARG . . . -142.13 -174.98 4.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -77.72 41.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.563 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 76.9 mtt85 43.32 37.99 1.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -124.11 14.89 9.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 36.7 m -59.46 130.96 87.92 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.656 0.741 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 100.22 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.665 2.243 . . . . 0.0 112.373 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.408 ' CG2' ' HD3' ' A' ' 66' ' ' ARG . 48.4 mm -88.67 88.1 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -128.0 175.3 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.939 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.769 0.319 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.492 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 18.9 mt-30 -90.79 -47.7 7.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.575 ' CD1' ' HB2' ' A' ' 46' ' ' CYS . 3.9 t80 -64.88 -61.77 1.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.473 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 85.6 m -44.99 -54.11 6.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.408 ' HD3' ' CG2' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -55.31 -64.13 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.474 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -46.98 -41.85 16.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.483 ' HG3' ' CZ ' ' A' ' 64' ' ' TYR . 29.2 mmtt -65.2 -50.43 65.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -43.35 -25.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 89.9 m -69.64 -47.14 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.75 -15.14 60.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.14 -53.9 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.417 ' CG2' ' HG3' ' A' ' 75' ' ' MET . 22.6 m -53.12 -42.4 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 160.25 -34.75 0.43 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.446 ' C ' ' O ' ' A' ' 74' ' ' GLY . 28.3 mtp -34.69 126.7 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -109.23 144.52 37.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.84 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 29.9 mtm180 -73.56 -43.86 58.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -42.05 -35.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.83 -47.11 55.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.148 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.9 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.478 HD11 ' CD1' ' A' ' 25' ' ' PHE . 9.4 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.776 0.322 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -105.83 169.79 8.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.484 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.2 t -83.08 123.81 29.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.4 m -75.43 7.43 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.9 t -111.86 -52.39 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.7 p -116.26 -17.49 10.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 96.85 -6.5 64.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 10' ' ' CYS . 38.6 t0 -63.91 144.29 57.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.903 0.382 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -45.47 106.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 t -62.4 140.58 58.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 t -82.35 -20.07 38.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.44 -169.05 39.07 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.443 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 8.2 ttmm -87.71 83.68 7.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.836 0.351 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -95.37 121.2 36.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.502 ' CE1' HG22 ' A' ' 80' ' ' VAL . 27.7 m-85 69.85 39.08 1.5 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.15 23.25 69.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -152.31 149.81 29.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.478 ' CD1' HD11 ' A' ' 8' ' ' ILE . 50.2 m-85 -87.11 106.52 17.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.0 p -139.38 153.92 47.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.2 p -72.38 158.59 35.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.34 -38.14 65.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.08 -44.86 92.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 96.9 m -81.05 -37.42 29.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -47.54 -51.81 19.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.9 p -72.2 -50.08 30.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.456 ' HA ' ' NE ' ' A' ' 36' ' ' ARG . 65.0 t80 -49.54 -35.7 21.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -70.15 -45.53 66.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 37' ' ' SER . 5.9 ttmt -67.65 -61.32 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.456 ' NE ' ' HA ' ' A' ' 33' ' ' PHE . 9.1 ptp180 -37.38 -27.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 35' ' ' LYS . 85.4 p -98.39 -33.5 11.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 35' ' ' LYS . 55.1 t -77.28 -56.39 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.442 ' C ' ' HD3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -59.72 -29.95 68.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -92.77 -21.44 19.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.0 t30 70.85 43.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.3 mt -83.8 169.49 15.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.5 m -154.44 112.88 3.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -94.56 163.33 13.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.6 t -107.82 132.18 53.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.488 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 34.9 t -84.03 115.56 22.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -81.5 23.14 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.401 ' C ' ' H ' ' A' ' 50' ' ' ARG . . . -144.16 -175.04 4.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -77.48 41.93 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.525 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 77.9 mtm180 40.72 34.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -126.65 16.01 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.7 m -56.31 126.96 70.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.64 0.733 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 87.64 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.2 mm -69.65 98.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -123.09 178.71 4.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.934 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 45.3 t . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.746 0.308 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -89.28 -54.42 4.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.525 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 1.4 t80 -58.65 -60.29 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.511 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 51.6 m -46.8 -54.28 10.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.447 ' HG2' ' CE2' ' A' ' 33' ' ' PHE . 54.8 ttt180 -56.22 -50.06 72.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.467 HD13 ' N ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -56.63 -57.59 11.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.508 ' HG3' ' CE2' ' A' ' 64' ' ' TYR . 1.1 mmmp? -54.24 -49.68 68.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 68' ' ' LYS . 1.7 ttmt -38.36 -26.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' LYS . 68.8 m -70.35 -51.4 30.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 23.6 mt -67.12 -9.86 44.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.0 -57.95 2.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.8 m -50.05 -33.78 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 148.85 -30.93 1.23 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 69.8 mtp -38.13 124.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.745 0.307 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.428 ' CZ ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 ptm180 -104.62 142.6 34.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -73.68 -36.8 65.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.428 ' HG3' ' CZ ' ' A' ' 76' ' ' ARG . 6.4 pt-20 -52.59 -25.59 11.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.31 -34.43 59.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.502 HG22 ' CE1' ' A' ' 22' ' ' TYR . 79.7 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.482 HG22 ' CG ' ' A' ' 25' ' ' PHE . 7.8 mt . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.84 0.352 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.8 mp0 -106.88 166.15 10.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.7 t -77.42 120.66 22.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.5 m -71.28 3.19 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.8 t -106.9 -54.2 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.174 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.437 ' HB2' ' CA ' ' A' ' 56' ' ' GLN . 26.7 p -114.21 -17.58 11.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 96.5 -5.35 64.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 10' ' ' CYS . 36.6 t0 -64.41 141.16 58.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.927 0.394 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -43.93 107.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.3 t -67.51 140.42 57.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.9 t -80.04 -21.79 43.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.26 -176.6 38.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 18.9 ttmt -72.42 96.29 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.33 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -106.26 119.32 38.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 67.15 36.75 3.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.45 12.05 80.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -146.74 148.21 31.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.867 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.482 ' CG ' HG22 ' A' ' 8' ' ' ILE . 57.0 m-85 -83.3 107.81 16.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.1 p -138.88 144.9 39.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.9 p -61.54 175.15 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -72.26 -29.46 63.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.41 -38.93 95.45 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 77.1 m -87.39 -39.89 14.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.91 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -42.86 -49.2 5.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.8 m -75.77 -46.54 30.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.785 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -48.96 -31.65 7.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.484 ' CZ ' HG23 ' A' ' 38' ' ' VAL . 71.9 t80 -75.4 -52.74 10.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.405 ' C ' ' N ' ' A' ' 37' ' ' SER . 43.1 tttt -61.22 -58.58 7.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -43.98 -23.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 35' ' ' LYS . 52.3 p -98.27 -34.68 10.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.484 HG23 ' CZ ' ' A' ' 34' ' ' PHE . 17.9 t -78.98 -55.34 9.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.479 ' NE ' ' HG2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -53.95 -34.51 59.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.479 ' HG2' ' NE ' ' A' ' 39' ' ' ARG . 22.2 mtm180 -95.27 -16.4 22.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 m120 66.11 42.22 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.5 mt -73.28 142.82 47.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.8 m -120.33 113.59 20.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.511 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 25.5 m-85 -93.95 151.65 19.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 46' ' ' CYS . 94.1 m -115.35 85.51 2.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.554 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 40.7 t -37.05 114.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -77.96 11.91 2.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -132.55 -173.16 3.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -80.08 39.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.43 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 48.6 mtm-85 44.84 35.79 1.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -125.87 18.02 7.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.8 m -62.87 128.48 92.08 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.622 0.725 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 98.92 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.307 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.418 HD13 ' N ' ' A' ' 66' ' ' ARG . 23.6 mm -82.19 86.24 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -124.4 153.97 41.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.437 ' CA ' ' HB2' ' A' ' 13' ' ' CYS . 3.5 tp-100 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.8 t . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.735 0.302 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.511 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 28.5 mm100 -63.96 -62.37 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.554 ' CD2' ' HB2' ' A' ' 46' ' ' CYS . 14.1 t80 -52.62 -72.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.541 ' N ' ' CD2' ' A' ' 64' ' ' TYR . 61.5 m -37.24 -60.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.418 ' N ' HD13 ' A' ' 54' ' ' ILE . 51.0 ttt180 -48.12 -53.78 15.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.01 -56.94 14.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 64' ' ' TYR . 19.1 mmtp -49.74 -49.55 47.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -42.99 -27.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 68.2 m -71.16 -54.25 11.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.65 -7.95 17.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -95.04 -59.2 1.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.826 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.457 ' N ' ' HD3' ' A' ' 72' ' ' LYS . 16.8 m -48.36 -39.61 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 154.48 -27.29 0.68 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.447 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 31.2 mmm -42.44 128.14 3.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.794 0.331 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.448 ' HD2' ' CG ' ' A' ' 78' ' ' GLU . 29.1 ptt180 -107.11 146.26 31.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 16.5 mtp-105 -76.4 -48.88 18.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.448 ' CG ' ' HD2' ' A' ' 76' ' ' ARG . 8.5 pt-20 -36.81 -43.93 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.22 -53.95 46.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 99.5 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -104.16 42.13 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.861 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -99.0 175.63 5.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.38 63.04 1.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.493 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -133.82 172.92 12.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.856 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -108.77 79.38 1.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.88 -172.73 50.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.574 HD12 ' CD1' ' A' ' 25' ' ' PHE . 56.9 mt -79.95 153.96 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.775 0.321 . . . . 0.0 111.125 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -112.88 159.96 18.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.7 t -76.32 118.51 19.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.1 m -68.96 1.14 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.0 t -105.28 -52.08 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.1 p -117.99 -15.33 9.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 10' ' ' CYS . . . 98.17 -20.13 51.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 10' ' ' CYS . 36.0 t0 -49.81 139.59 13.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -43.39 103.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.8 t -53.57 136.93 37.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.4 p -89.57 28.27 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.75 163.3 17.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 30.9 ttmt -63.29 102.2 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.329 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -113.06 130.47 56.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.558 ' CE1' HG21 ' A' ' 80' ' ' VAL . 41.8 m-85 64.77 25.67 12.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.45 -23.71 28.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -118.31 156.27 29.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.574 ' CD1' HD12 ' A' ' 8' ' ' ILE . 70.0 m-85 -81.92 111.62 18.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.4 p -137.0 152.27 49.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.179 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.5 p -71.34 177.56 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -71.77 -29.27 64.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.85 -47.87 81.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.537 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 54.5 m -83.48 -28.99 28.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.933 0.397 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.486 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -52.29 -48.31 65.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.486 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 53.6 p -79.52 -41.36 27.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.461 ' CE2' ' HG2' ' A' ' 66' ' ' ARG . 68.1 t80 -56.16 -30.67 62.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.819 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -74.37 -49.28 23.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.542 ' O ' ' N ' ' A' ' 37' ' ' SER . 20.5 tttt -63.8 -63.56 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 35' ' ' LYS . 1.2 ptp180 -34.89 -30.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 35' ' ' LYS . 9.3 p -93.75 -46.5 7.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.93 -61.16 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.414 ' C ' ' HD3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -55.28 -27.23 45.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 66.8 mtp180 -91.25 -16.99 26.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 66.48 42.12 2.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.1 mt -80.75 175.37 10.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 51.3 m -161.25 105.66 1.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -91.53 150.87 21.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.5 m -112.81 101.68 9.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.417 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 40.0 t -58.21 107.52 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -62.45 -7.79 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.403 ' C ' ' H ' ' A' ' 50' ' ' ARG . . . -104.01 -172.58 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -81.11 31.35 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.546 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 86.7 mtt180 50.44 38.22 17.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.39 19.42 8.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.6 m -64.76 130.74 94.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.604 0.716 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 101.61 0.93 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.7 2.267 . . . . 0.0 112.314 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 49.5 mm -86.91 82.04 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.631 ' N ' HE22 ' A' ' 61' ' ' GLN . 4.2 m-20 -107.31 -178.21 3.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -92.83 -41.6 10.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.963 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.04 49.21 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -152.95 123.83 7.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 60' ' ' ASN . 8.4 ptp85 -47.79 176.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.462 ' C ' ' O ' ' A' ' 59' ' ' ARG . 3.0 m-20 -33.34 104.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.631 HE22 ' N ' ' A' ' 55' ' ' ASP . 31.5 mt-30 -92.89 178.67 5.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 46.0 t -37.42 156.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -99.14 -55.39 2.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.546 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 1.4 t80 -57.0 -47.57 80.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.9 m -60.5 -53.47 57.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.461 ' HG2' ' CE2' ' A' ' 33' ' ' PHE . 52.7 ttt180 -57.39 -48.19 79.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.9 -49.22 77.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 70' ' ' CYS . 33.2 mmtm -58.63 -52.12 67.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 68' ' ' LYS . 5.2 ttmt -37.68 -28.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' LYS . 64.9 m -65.06 -51.74 59.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.39 -14.69 63.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -86.7 -58.08 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.4 m -53.03 -40.23 36.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 155.78 -33.34 0.62 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.545 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 74' ' ' GLY . 65.2 mtp -34.75 124.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -103.13 143.44 32.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 78' ' ' GLU . 61.7 mtt180 -74.86 -45.96 39.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 77' ' ' ARG . 14.6 pt-20 -36.77 -46.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 80' ' ' VAL . . . -56.88 -51.56 68.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.079 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.558 HG21 ' CE1' ' A' ' 22' ' ' TYR . 93.8 t -34.92 -37.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -115.67 103.46 10.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.79 157.38 21.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.62 -156.66 23.3 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 t -67.37 131.73 46.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.849 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -120.09 96.24 0.62 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.515 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 170.98 15.29 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.258 . . . . 0.0 112.328 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.6 p -126.07 126.17 43.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.816 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.0 p -96.25 41.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.503 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 t 59.18 41.77 19.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.844 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p -77.77 -45.71 23.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.33 -59.46 4.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -70.76 141.21 51.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -104.97 47.77 0.86 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.9 -162.77 21.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.416 HD13 ' CE1' ' A' ' 25' ' ' PHE . 17.9 mt -83.31 144.66 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.322 . . . . 0.0 111.144 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -108.21 162.26 14.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' ASP . 43.5 t -76.69 126.19 30.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.429 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 12.5 m -76.59 9.08 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.3 t -114.9 -54.3 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.0 p -113.52 -16.65 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.83 -11.12 66.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 10' ' ' CYS . 27.2 t70 -58.58 141.48 52.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.369 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -44.65 103.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.6 t -57.1 144.1 35.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.8 p -96.51 23.36 6.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.04 162.04 12.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.513 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 8.5 tppt? -63.54 112.64 2.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -120.88 123.9 43.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 65.45 40.14 4.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.49 15.27 70.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.451 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.43 ' NE2' ' HA3' ' A' ' 74' ' ' GLY . 5.0 tp-100 -152.33 137.46 17.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.513 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 48.0 m-85 -74.33 115.58 14.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.1 p -145.15 147.04 32.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.7 p -65.05 168.09 7.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -65.56 -25.15 67.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.27 -40.24 81.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.494 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.5 m -88.78 -28.22 20.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -57.44 -42.91 83.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.472 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 20.6 t -84.21 -37.52 21.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -62.8 -34.47 77.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.522 ' CZ ' HG23 ' A' ' 38' ' ' VAL . 58.9 t80 -69.26 -44.22 72.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.526 ' O ' ' N ' ' A' ' 37' ' ' SER . 15.3 tttp -68.85 -64.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' LYS . 2.8 ptp180 -34.83 -30.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 35' ' ' LYS . 16.8 p -92.47 -42.91 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.522 HG23 ' CZ ' ' A' ' 34' ' ' PHE . 35.1 t -69.23 -62.04 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.424 ' C ' ' HD3' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -52.78 -26.2 13.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -92.17 -21.46 20.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 73.79 33.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.44 ' CD1' ' HA ' ' A' ' 37' ' ' SER . 13.5 mt -72.19 173.15 8.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.2 m -161.6 105.65 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -89.0 142.72 27.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.5 m -102.5 108.78 20.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.136 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.9 t -78.88 93.17 4.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -52.08 -16.06 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.426 ' C ' ' H ' ' A' ' 50' ' ' ARG . . . -85.67 -171.74 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -80.16 31.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.496 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 49.6 mtm180 41.65 32.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -122.45 17.95 10.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.9 m -58.73 130.5 85.59 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.656 0.741 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 98.98 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.2 mm -83.76 98.4 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.505 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 4.7 m-20 -121.71 -179.87 4.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.405 ' CD ' ' O ' ' A' ' 56' ' ' GLN . 2.4 tp-100 -89.89 -34.43 16.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -76.68 47.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -156.7 119.44 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -69.68 -69.92 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -85.26 104.63 15.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.505 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 7.7 mt-30 -124.06 164.65 18.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 39.1 t -57.2 139.11 53.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -83.1 -50.84 8.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.496 ' CE2' ' HG2' ' A' ' 50' ' ' ARG . 25.0 t80 -59.08 -59.26 5.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.966 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 56.5 m -51.68 -48.94 63.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -59.61 -56.19 24.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.401 HD13 ' N ' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -53.33 -48.63 68.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 70' ' ' CYS . 23.9 mmmt -61.31 -48.81 79.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -39.05 -25.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 68' ' ' LYS . 72.5 m -69.25 -52.38 28.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.459 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 10.1 mt -63.66 -20.81 66.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -82.9 -53.14 6.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.429 ' CG1' ' O ' ' A' ' 11' ' ' VAL . 22.3 m -53.51 -31.8 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.475 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 146.39 -35.44 1.33 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.442 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.517 ' HE1' ' CD2' ' A' ' 34' ' ' PHE . 34.4 mmm -32.52 139.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' HE ' ' CG ' ' A' ' 78' ' ' GLU . 4.6 ptm180 -109.69 150.69 27.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.459 ' HG3' ' CD2' ' A' ' 71' ' ' LEU . 69.3 mtp180 -88.04 -36.44 16.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.4 ' CG ' ' HE ' ' A' ' 76' ' ' ARG . 11.7 pt-20 -54.12 -40.03 66.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.31 89.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.422 ' CG1' ' HB3' ' A' ' 39' ' ' ARG . 71.5 t -51.92 -41.47 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -112.16 113.37 25.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -110.58 132.22 54.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 70.87 52.74 13.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.9 t -115.78 136.15 53.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.917 0.389 . . . . 0.0 110.875 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 170.62 -100.18 0.15 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 150.57 68.65 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.308 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 35.6 p -109.16 86.16 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 68.2 m -114.0 91.23 3.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.53 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -116.92 85.06 2.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.916 0.389 . . . . 0.0 110.849 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -94.32 89.48 5.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.21 70.12 0.55 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -163.27 161.05 24.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.87 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -101.03 90.32 4.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.33 150.7 11.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.509 HD12 ' CD1' ' A' ' 25' ' ' PHE . 13.7 mt -82.76 157.06 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.789 0.328 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -119.6 168.17 11.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 15' ' ' ASP . 44.6 t -83.89 123.47 29.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -73.89 7.14 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.7 t -113.27 -53.59 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.1 p -114.31 -14.89 12.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 94.28 -9.86 71.83 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.54 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 10' ' ' CYS . 10.3 t70 -59.16 140.06 56.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -44.98 107.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 t -63.72 148.23 49.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 m -89.52 -19.46 25.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 166.09 -167.22 39.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 16.6 ttmt -86.23 80.03 8.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.753 0.311 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -90.24 117.49 29.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 68.93 40.66 1.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.973 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.41 18.53 61.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -148.47 137.41 21.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.528 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 46.8 m-85 -75.34 105.44 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.8 p -138.38 149.24 45.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.0 p -67.28 170.4 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -67.89 -25.69 65.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.06 -45.47 87.14 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.8 m -84.91 -29.19 25.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -56.44 -46.68 80.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.469 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 3.3 t -79.83 -35.53 38.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -64.92 -29.6 70.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.5 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 37.0 t80 -74.09 -47.51 35.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 38' ' ' VAL . 35.7 tttp -65.31 -63.45 1.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' LYS . 11.1 ptp180 -35.85 -30.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 35' ' ' LYS . 92.3 p -95.89 -35.41 11.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.509 ' N ' ' O ' ' A' ' 35' ' ' LYS . 87.1 t -74.64 -62.13 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.44 ' C ' ' HD3' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -54.87 -26.91 38.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -91.76 -18.17 24.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 66.1 t30 65.58 41.42 4.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.1 mt -79.36 153.42 29.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.2 m -134.59 100.95 4.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.41 ' CD2' ' HB3' ' A' ' 63' ' ' GLN . 10.2 m-85 -82.08 157.78 23.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.6 m -118.77 103.44 9.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.102 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.5 t -69.04 97.5 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -54.42 -14.43 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.407 ' C ' ' H ' ' A' ' 50' ' ' ARG . . . -93.48 -173.24 3.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -81.13 28.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.511 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 28.8 mtm-85 51.19 37.81 19.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -126.67 19.26 7.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.9 m -61.41 130.42 91.82 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.616 0.722 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 106.03 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.715 2.277 . . . . 0.0 112.332 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 52.1 mm -89.76 95.44 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.495 ' HB3' ' CE1' ' A' ' 57' ' ' HIS . 1.0 OUTLIER -116.74 -174.92 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.462 ' O ' ' C ' ' A' ' 57' ' ' HIS . 1.5 tp-100 -93.79 -59.86 1.89 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.495 ' CE1' ' HB3' ' A' ' 55' ' ' ASP . 2.9 p-80 -33.2 -45.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -81.1 128.49 33.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -85.2 -64.88 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 -75.04 106.03 6.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.471 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 31.5 mt-30 -132.74 171.4 13.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 53.2 t -52.93 149.78 6.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.41 ' HB3' ' CD2' ' A' ' 44' ' ' TYR . 34.9 mt-30 -88.61 -61.36 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.511 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 8.5 t80 -50.48 -53.19 31.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.955 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.7 m -54.72 -62.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -48.16 -51.72 23.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 tp -55.85 -57.49 11.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -48.26 -50.16 30.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.66 -26.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 62.0 m -69.74 -46.58 65.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 32.3 mt -70.28 -15.54 62.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.407 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 8.2 tmtm? -89.62 -56.78 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.417 ' CG2' ' HG3' ' A' ' 75' ' ' MET . 29.6 m -50.47 -38.34 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 154.67 -32.9 0.69 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.417 ' HG3' ' CG2' ' A' ' 73' ' ' VAL . 29.2 mtp -39.84 117.78 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -102.1 136.07 42.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -61.36 -45.3 94.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -43.99 -32.37 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.59 -51.84 56.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.44 HG21 ' CG1' ' A' ' 38' ' ' VAL . 99.5 t -42.61 -55.02 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -159.88 160.89 34.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -121.67 130.77 53.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 166.69 -115.82 0.65 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 85' ' ' GLY . 32.3 t -73.3 -57.12 4.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.927 0.394 . . . . 0.0 110.872 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 84' ' ' SER . . . 34.5 80.76 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.518 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 85.88 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.412 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.5 p -148.43 148.85 30.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.2 m -156.75 125.12 5.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.483 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -126.18 147.42 49.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.374 . . . . 0.0 110.841 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -79.06 -54.11 6.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.49 128.07 2.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.473 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -171.89 158.95 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.898 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -65.4 93.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.01 156.25 8.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 17' ' ' SER . 14.2 mt -85.18 151.04 3.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 111.129 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 14' ' ' GLY . 67.1 mm-40 -103.12 167.27 9.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.507 ' N ' ' O ' ' A' ' 15' ' ' ASP . 44.3 t -83.03 124.55 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.1 m -74.95 7.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 68.8 t -113.54 -51.97 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.2 p -117.49 -15.6 10.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.402 ' O ' ' OE1' ' A' ' 9' ' ' GLU . . . 97.68 -15.6 61.66 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 10' ' ' CYS . 15.2 t0 -53.38 141.39 24.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 1.2 tppp? -46.75 103.38 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 8' ' ' ILE . 14.4 t -54.72 148.5 12.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.2 t -92.33 -21.83 20.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 169.64 -171.17 43.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -86.3 78.66 9.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -87.77 133.45 33.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 54.62 37.54 28.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.74 24.55 71.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -152.0 138.64 18.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.935 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -75.72 108.69 8.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.9 p -140.81 155.68 46.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 22.1 p -72.34 175.2 6.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -72.17 -26.79 62.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.69 -40.16 90.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.4 m -86.67 -35.91 19.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -44.37 -50.44 9.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.7 m -77.16 -45.09 27.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -49.93 -37.12 30.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -70.31 -46.63 63.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 37' ' ' SER . 12.5 ttpt -69.47 -65.34 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -36.15 -30.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 35' ' ' LYS . 77.9 p -91.55 -43.31 9.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 35' ' ' LYS . 42.0 t -70.64 -59.2 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.434 ' C ' ' HD3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -54.28 -24.66 19.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.2 mtp85 -97.78 -19.12 18.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 69.67 34.21 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.0 mt -68.5 149.18 49.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.6 m -133.21 88.5 2.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.434 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 9.6 m-85 -69.37 175.48 3.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.7 m -137.87 106.38 5.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 36.1 t -70.12 106.88 3.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -67.11 -4.03 8.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.431 ' C ' ' H ' ' A' ' 50' ' ' ARG . . . -102.03 -171.03 1.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -79.3 24.29 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.431 ' H ' ' C ' ' A' ' 48' ' ' ALA . 67.0 mtp180 53.98 33.89 18.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -124.85 21.08 8.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.9 m -60.09 127.87 86.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.655 0.741 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 84.97 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.405 HD12 ' N ' ' A' ' 66' ' ' ARG . 26.9 mm -64.5 91.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.693 ' N ' HE21 ' A' ' 61' ' ' GLN . 28.4 m-20 -132.09 154.51 49.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 58' ' ' HIS . 1.0 OUTLIER -51.92 -65.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.9 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.489 ' O ' ' CD2' ' A' ' 58' ' ' HIS . 11.8 m170 34.93 31.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.812 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.524 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 4.8 p80 33.97 49.19 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.7 ttp-105 -156.1 155.21 32.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.425 ' C ' ' HG3' ' A' ' 61' ' ' GLN . 1.9 m120 -53.97 169.56 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.693 HE21 ' N ' ' A' ' 55' ' ' ASP . 23.5 mt-30 -145.54 158.81 43.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 66' ' ' ARG . 13.8 t -49.07 128.81 16.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.434 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 81.6 mt-30 -57.67 -68.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.421 ' CD2' ' N ' ' A' ' 65' ' ' CYS . 28.3 t80 -49.12 -73.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.421 ' N ' ' CD2' ' A' ' 64' ' ' TYR . 65.2 m -37.92 -55.69 1.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.472 ' CB ' ' O ' ' A' ' 62' ' ' CYS . 1.5 tpt180 -49.91 -54.9 16.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.3 tp -53.06 -54.67 32.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm -51.16 -46.42 62.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -50.84 -22.49 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 62.0 m -74.45 -56.29 5.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.1 mt -63.4 -19.09 64.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -82.28 -53.4 6.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.402 ' CG2' ' HG3' ' A' ' 75' ' ' MET . 35.8 m -55.57 -20.23 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 136.05 -37.31 1.91 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.461 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 74' ' ' GLY . 73.0 mtp -33.37 119.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.2 ptt85 -103.21 137.6 41.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 78' ' ' GLU . 36.5 mtt180 -63.73 -46.62 84.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' ARG . 2.0 pm0 -37.23 -42.79 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 80' ' ' VAL . . . -58.86 -53.21 60.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 79' ' ' ALA . 97.8 t -36.37 -45.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -120.09 79.55 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -59.0 143.89 46.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -144.66 -114.36 0.93 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.2 t -116.59 -61.76 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.961 0.41 . . . . 0.0 110.85 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -146.05 -169.73 14.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 87.79 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.352 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 51.8 p -132.07 82.56 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.1 m -131.28 83.64 2.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.516 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.1 m -120.94 126.27 49.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.835 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -86.96 124.29 33.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.11 -110.42 1.33 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -46.59 133.05 10.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.0 p -54.28 143.07 24.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.47 164.7 10.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.696 ' CD1' ' CE1' ' A' ' 25' ' ' PHE . 9.1 mt -85.74 150.94 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 111.14 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.2 mp0 -107.83 165.32 11.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.799 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.6 t -79.14 124.17 28.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.4 m -75.06 7.15 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.0 t -112.07 -55.7 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.6 p -112.14 -16.93 12.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 96.19 -6.32 66.16 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.512 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 10' ' ' CYS . 33.6 t70 -62.63 141.28 58.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.81 104.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 t -63.56 131.12 47.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 t -74.99 -22.37 58.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 165.79 163.98 20.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.489 ' HE2' ' CE2' ' A' ' 25' ' ' PHE . 6.2 tppt? -61.74 109.9 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -120.03 128.47 53.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 66.01 31.76 8.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.06 13.99 83.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.452 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -152.1 141.6 21.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.696 ' CE1' ' CD1' ' A' ' 8' ' ' ILE . 65.5 m-85 -74.52 112.13 10.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 49.5 p -144.36 139.55 28.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.2 p -55.73 168.66 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.3 -19.94 63.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.57 -39.65 55.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 77.9 m -87.49 -31.08 20.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 0.0 110.923 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -55.05 -52.53 62.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.4 m -74.2 -42.98 58.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.452 ' HA ' ' NE ' ' A' ' 36' ' ' ARG . 28.4 t80 -59.23 -28.78 67.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.541 ' CD2' ' HE1' ' A' ' 75' ' ' MET . 44.9 t80 -73.97 -46.03 46.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 37' ' ' SER . 51.5 tttt -68.94 -60.09 2.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.452 ' NE ' ' HA ' ' A' ' 33' ' ' PHE . 8.3 ptp180 -36.13 -28.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -96.58 -44.38 7.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.772 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.454 HG23 ' CZ ' ' A' ' 34' ' ' PHE . 35.1 t -65.23 -62.68 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.404 ' C ' ' HD3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -54.59 -27.21 37.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -90.12 -14.0 34.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 m120 63.82 54.85 1.72 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.484 ' CD1' ' HA ' ' A' ' 37' ' ' SER . 13.1 mt -94.9 164.04 13.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.9 m -146.76 104.98 3.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.517 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 42.7 m-85 -83.97 144.75 28.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.0 m -108.21 89.09 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.169 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.522 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 41.9 t -43.57 116.14 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.432 ' NE ' ' HA ' ' A' ' 47' ' ' ARG . 3.2 tpm_? -78.72 14.66 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -133.72 -172.51 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -79.38 41.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.53 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 62.7 mtm180 41.9 38.46 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -127.02 13.18 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.8 m -58.11 131.56 83.84 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.643 0.735 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 106.3 1.63 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.311 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.4 mm -95.62 82.74 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.501 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 23.0 p30 -115.34 166.14 12.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' HIS . 2.8 tp-100 -71.12 -47.96 55.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' GLN . 83.5 m-70 -34.05 -48.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -82.78 155.81 24.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.66 -58.79 1.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -91.95 92.63 8.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 30.5 mt-30 -118.56 164.88 14.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 61' ' ' GLN . 48.6 t -34.09 149.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.517 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 16.7 mt-30 -92.46 -49.9 5.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.53 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 1.7 t80 -61.17 -55.99 25.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.423 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 51.6 m -51.17 -49.59 60.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.406 ' HG2' ' CE2' ' A' ' 33' ' ' PHE . 64.9 ttt180 -62.65 -65.35 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.56 -46.15 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 70' ' ' CYS . 1.3 mmmp? -62.63 -49.8 73.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -38.87 -26.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 68' ' ' LYS . 75.0 m -67.45 -48.98 65.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' LYS . 15.7 mt -69.31 -17.84 63.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -84.75 -56.42 3.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.432 ' CG2' ' HG3' ' A' ' 75' ' ' MET . 27.6 m -52.18 -41.49 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 158.64 -31.5 0.47 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.448 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.541 ' HE1' ' CD2' ' A' ' 34' ' ' PHE . 29.3 mtp -39.98 124.23 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -105.5 139.06 40.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -68.04 -36.18 79.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -57.28 -29.52 63.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.83 -27.25 61.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 81.7 t -69.21 -37.39 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.449 ' CD ' ' O ' ' A' ' 81' ' ' GLN . 4.0 pp0? -128.03 52.07 1.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 82' ' ' ARG . 22.1 mtm105 -46.54 142.67 3.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.9 159.0 27.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.6 m -70.06 79.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.875 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.64 160.72 8.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' SER . 53.5 Cg_endo -69.73 -48.62 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.256 . . . . 0.0 112.345 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' PRO . 56.1 p 37.94 42.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.6 p -58.56 138.86 56.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.089 -0.84 . . . . 0.0 112.492 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.4 p -68.6 85.62 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 t -81.84 89.68 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.16 -128.57 6.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.5 t -90.04 89.8 7.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 0.0 110.85 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.2 p -144.32 119.88 10.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.85 159.86 25.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.6 mt -82.4 144.98 9.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.788 0.328 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -106.06 168.88 8.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 15' ' ' ASP . 47.8 t -83.97 127.84 34.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.7 m -76.25 9.53 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 66.9 t -115.93 -55.1 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.42 ' HB2' ' CA ' ' A' ' 56' ' ' GLN . 28.9 p -114.6 -14.34 12.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.31 -17.77 58.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 10' ' ' CYS . 17.5 t70 -50.41 139.71 14.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -44.82 102.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.2 t -55.02 139.54 40.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 t -82.52 -23.04 34.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 165.94 -173.78 41.54 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -82.03 84.25 7.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -98.09 122.18 40.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.507 ' CD2' ' HE3' ' A' ' 75' ' ' MET . 41.3 m-85 68.22 42.21 1.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.58 19.49 60.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -151.95 145.37 24.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -81.65 113.83 19.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.2 p -143.77 147.65 34.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.177 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.5 p -64.42 175.27 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -70.16 -30.44 67.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.87 -44.2 94.99 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 69.2 m -83.01 -37.21 24.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.934 0.397 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -46.01 -52.71 11.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.3 m -75.16 -45.1 42.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.426 ' CE2' ' HG2' ' A' ' 66' ' ' ARG . 82.5 t80 -52.23 -34.6 46.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.564 ' CD2' ' HE3' ' A' ' 75' ' ' MET . 57.9 t80 -69.53 -47.36 64.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 38' ' ' VAL . 28.3 tttt -69.33 -60.2 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.82 -26.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 35' ' ' LYS . 40.4 p -96.7 -30.57 13.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 35' ' ' LYS . 6.2 t -83.76 -59.86 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.444 ' HG2' ' CG ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -55.56 -21.47 17.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -99.04 -13.4 19.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.5 m120 63.98 42.36 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.2 mt -84.64 166.23 17.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.4 m -151.59 118.78 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.509 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 7.2 m-85 -100.5 154.47 18.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 45' ' ' THR . 3.0 t -106.22 119.15 38.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.507 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 27.5 t -69.82 114.91 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.0 mtm-85 -81.81 24.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.406 ' C ' ' H ' ' A' ' 50' ' ' ARG . . . -146.9 -174.98 4.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -77.6 41.76 0.34 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.406 ' H ' ' C ' ' A' ' 48' ' ' ALA . 75.0 mtt180 42.24 38.36 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.817 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.431 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 9.6 p30 -128.55 13.53 6.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.5 m -58.54 133.29 85.65 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.734 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 103.33 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.4 mm -92.2 81.46 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -113.55 -179.63 3.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 57' ' ' HIS . 2.7 tp-100 -91.14 -43.3 9.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 56' ' ' GLN . 81.6 m-70 -34.21 -46.28 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.401 ' CB ' ' OE1' ' A' ' 61' ' ' GLN . 20.5 m170 -98.42 161.22 13.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -109.29 -51.66 2.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -79.16 98.12 6.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.401 ' OE1' ' CB ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -133.06 172.88 12.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 46.0 t -52.88 145.45 12.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.509 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 19.8 mt-30 -86.3 -53.71 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.507 ' CD1' ' HB2' ' A' ' 46' ' ' CYS . 3.9 t80 -56.59 -59.25 5.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.415 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 41.6 m -47.4 -49.88 23.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.426 ' HG2' ' CE2' ' A' ' 33' ' ' PHE . 57.7 ttt180 -62.01 -64.8 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.427 ' CD1' ' C ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -46.18 -39.87 10.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 70' ' ' CYS . 20.5 mmtp -69.57 -50.55 43.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 68' ' ' LYS . 4.5 ttmt -38.05 -28.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.469 ' N ' ' O ' ' A' ' 68' ' ' LYS . 59.2 m -66.26 -51.77 54.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.8 mt -67.17 -14.99 63.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.01 -53.54 4.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.7 m -54.22 -39.08 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 155.93 -35.07 0.62 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.564 ' HE3' ' CD2' ' A' ' 34' ' ' PHE . 39.3 mmm -33.62 135.69 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.74 0.305 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -114.74 134.25 55.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -68.06 -43.35 78.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -42.82 -45.03 4.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.48 -46.96 76.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.3 t -50.59 -48.16 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -128.31 120.86 27.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -116.93 173.16 6.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.56 -144.34 10.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.5 m -135.13 158.9 43.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 110.889 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 148.57 -156.1 26.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -1.8 9.12 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.278 . . . . 0.0 112.332 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 83.2 p -69.77 118.57 12.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.2 t -117.0 126.77 53.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.496 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 t -73.3 86.12 1.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 m -99.89 89.34 4.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.41 102.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.44 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -44.56 114.83 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.854 0.359 . . . . 0.0 110.88 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -117.93 150.35 39.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.13 174.39 17.02 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.575 HD13 ' CD1' ' A' ' 25' ' ' PHE . 51.4 mt -81.17 153.31 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.783 0.325 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.421 ' N ' HG22 ' A' ' 8' ' ' ILE . 20.3 mp0 -109.86 160.49 16.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.509 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.7 t -77.33 121.34 23.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.4 m -70.55 3.04 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.402 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 93.4 t -108.51 -53.35 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 56' ' ' GLN . 29.0 p -116.63 -13.43 10.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 10' ' ' CYS . . . 95.55 -16.33 61.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 10' ' ' CYS . 47.0 t0 -51.41 138.0 22.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.875 0.369 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -42.92 97.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.2 t -47.23 139.54 6.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.8 p -90.59 22.5 3.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.43 178.42 19.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HE3' ' CD1' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -66.55 113.17 4.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.407 ' NE2' ' HD3' ' A' ' 31' ' ' LYS . 5.0 m-70 -125.01 126.02 44.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.498 ' CE1' HG21 ' A' ' 80' ' ' VAL . 39.3 m-85 57.95 32.84 22.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.87 14.72 82.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -152.02 137.4 17.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.575 ' CD1' HD13 ' A' ' 8' ' ' ILE . 39.1 m-85 -68.35 116.45 8.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -147.56 149.07 31.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.141 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.6 p -65.67 177.0 1.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.0 mp0 -75.52 -25.35 57.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.47 -41.3 90.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 79.6 m -85.25 -39.63 17.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.903 0.382 . . . . 0.0 110.912 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.407 ' HD3' ' NE2' ' A' ' 21' ' ' HIS . 8.4 ttpp -44.83 -46.3 10.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.7 t -80.35 -45.29 18.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.547 ' CE2' ' HG2' ' A' ' 66' ' ' ARG . 72.4 t80 -54.48 -28.72 46.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -74.58 -52.68 11.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 37' ' ' SER . 7.8 ttmt -60.99 -63.04 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 35' ' ' LYS . 5.3 ptp180 -34.75 -31.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 35' ' ' LYS . 74.5 p -93.75 -39.83 10.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 35' ' ' LYS . 40.5 t -70.23 -61.74 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.087 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.441 ' C ' ' HD3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -54.23 -28.4 41.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.6 mtp85 -91.33 -20.9 21.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 68.59 43.74 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.0 mt -81.9 175.63 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.0 m -160.83 105.56 1.39 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -90.66 142.19 28.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.2 m -100.74 99.26 9.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.8 t -59.61 109.16 0.85 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 39.4 tpt85 -61.65 -15.55 40.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.429 ' C ' ' H ' ' A' ' 50' ' ' ARG . . . -92.96 -172.04 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.413 ' O ' ' ND2' ' A' ' 51' ' ' ASN . 4.7 m-80 -79.36 34.54 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 50' ' ' ARG . 12.3 mtp-105 42.08 39.7 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 49' ' ' ASN . 79.6 m-20 -131.94 14.98 4.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.6 m -52.65 133.17 46.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.649 0.737 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 87.87 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.364 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.1 mm -74.4 105.03 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.49 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 4.1 t70 -139.55 -177.46 4.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -84.15 -43.94 14.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.544 ' O ' ' CD2' ' A' ' 58' ' ' HIS . 11.6 m-70 -77.62 48.97 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.544 ' CD2' ' O ' ' A' ' 57' ' ' HIS . 36.1 m170 -149.38 126.39 11.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 46.1 mtp85 -94.32 145.21 24.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 61.55 44.03 9.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 16.6 mt-30 -59.95 143.31 51.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 43.2 t -46.96 133.36 11.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -68.79 -61.04 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.524 ' CZ ' ' HG3' ' A' ' 68' ' ' LYS . 42.2 t80 -53.12 -71.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' TYR . 58.0 m -36.82 -57.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.547 ' HG2' ' CE2' ' A' ' 33' ' ' PHE . 34.9 ttt180 -53.74 -49.85 67.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.459 HD13 ' N ' ' A' ' 68' ' ' LYS . 0.3 OUTLIER -55.95 -50.3 71.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 64' ' ' TYR . 53.2 mmtt -58.96 -50.52 73.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' LYS . 6.0 ttmt -37.53 -27.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 68' ' ' LYS . 82.0 m -67.23 -52.01 46.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.431 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 20.9 mt -68.15 -12.74 61.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.424 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 7.9 tmtm? -89.94 -56.64 3.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.5 m -52.83 -38.15 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 152.14 -30.56 0.89 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 74' ' ' GLY . 63.4 mtp -35.72 122.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.7 ptt85 -100.89 135.1 42.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.431 ' HG3' ' CD2' ' A' ' 71' ' ' LEU . 69.7 mtp180 -69.47 -44.62 70.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -41.62 -36.2 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.07 -53.66 50.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.498 HG21 ' CE1' ' A' ' 22' ' ' TYR . 92.7 t -42.42 -41.11 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -118.92 107.59 13.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -76.31 -58.78 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -67.93 -98.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 m 53.87 42.97 31.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.922 0.392 . . . . 0.0 110.837 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 138.09 126.13 2.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -3.39 11.88 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 88' ' ' SER . 1.0 OUTLIER -78.05 105.07 9.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.845 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 87' ' ' SER . 36.8 m 34.28 45.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.09 -0.839 . . . . 0.0 112.453 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t 67.03 42.68 2.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.362 . . . . 0.0 110.883 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.8 p -125.93 140.39 52.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.59 88.99 0.14 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.487 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 m -76.54 -54.12 7.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.826 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -90.84 98.6 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.69 130.13 2.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.45 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.0 mt -89.63 145.87 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 111.108 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -110.37 164.11 13.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 15' ' ' ASP . 41.9 t -81.74 121.23 26.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.4 m -70.24 2.0 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.418 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 57.3 t -106.33 -57.8 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.5 p -112.4 -15.39 13.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 98.2 -15.7 61.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 10' ' ' CYS . 23.2 t70 -51.81 141.02 18.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.895 0.379 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -45.81 99.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.2 t -54.28 137.74 40.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.7 p -80.06 -24.34 40.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 169.87 -169.11 41.9 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -86.78 85.95 7.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.788 0.328 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -96.52 132.08 42.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.465 ' CE1' HG21 ' A' ' 80' ' ' VAL . 30.8 m-85 58.42 41.21 23.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.05 19.77 64.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -152.24 144.3 23.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.945 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -79.88 116.29 19.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.5 p -150.47 139.81 21.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.0 p -55.79 168.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -65.97 -29.0 69.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.66 -44.74 95.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 76.1 m -83.34 -32.34 26.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -53.88 -50.39 66.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.482 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 47.9 t -76.2 -37.83 57.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -61.64 -33.88 74.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.498 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 41.3 t80 -70.69 -42.83 70.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 37' ' ' SER . 18.8 tttm -67.47 -65.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 37' ' ' SER . 7.0 ptm180 -35.01 -30.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 35' ' ' LYS . 10.1 p -89.16 -47.62 7.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.498 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 85.8 t -68.04 -62.47 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -28.65 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -93.53 -21.79 19.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.4 t30 73.83 33.1 1.03 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.2 mt -72.81 171.45 12.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.2 m -158.75 105.94 1.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -90.77 150.37 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.0 t -108.22 131.12 55.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.165 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.1 t -97.02 91.23 5.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -50.2 -17.78 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.27 -173.19 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -82.11 33.36 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.401 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 61.8 mtm180 41.35 43.16 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.494 ' CG ' ' O ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -118.76 1.83 11.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.5 m -45.28 119.3 4.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.634 0.73 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 83.84 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.309 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.2 mm -62.04 97.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.455 ' O ' ' CD ' ' A' ' 61' ' ' GLN . 3.6 t70 -131.92 163.06 29.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.456 ' O ' ' C ' ' A' ' 57' ' ' HIS . 4.8 tp-100 -66.57 -46.7 75.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.456 ' C ' ' O ' ' A' ' 56' ' ' GLN . 76.0 m-70 -34.12 -60.06 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -69.85 139.68 53.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -92.4 -29.9 16.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -108.52 65.0 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.455 ' CD ' ' O ' ' A' ' 55' ' ' ASP . 7.1 mt-30 -76.06 144.42 40.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 61' ' ' GLN . 53.9 t -36.67 154.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -89.81 -54.01 4.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.401 ' CE2' ' HG2' ' A' ' 50' ' ' ARG . 6.9 t80 -61.56 -59.57 5.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 88.9 m -49.87 -50.53 45.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -61.37 -58.13 9.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -49.59 -45.39 47.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 70' ' ' CYS . 2.9 mmmm -64.16 -49.55 71.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' LYS . 3.1 ttmt -37.08 -28.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 68' ' ' LYS . 79.4 m -66.78 -49.27 66.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' LYS . 20.8 mt -69.4 -12.28 61.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -90.05 -56.98 3.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.434 ' CG2' ' HG3' ' A' ' 75' ' ' MET . 29.1 m -54.65 -33.64 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 150.15 -34.42 1.01 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 74' ' ' GLY . 46.6 mtp -34.82 110.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.776 0.322 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -95.56 135.4 37.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.405 ' NH2' HD12 ' A' ' 71' ' ' LEU . 59.1 mtt180 -65.82 -44.18 86.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -41.79 -34.29 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.15 -52.33 42.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.074 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.465 HG21 ' CE1' ' A' ' 22' ' ' TYR . 80.7 t -44.0 -50.85 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -164.34 165.52 21.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -118.47 131.27 56.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 169.71 -114.86 0.57 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.501 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.0 t -75.84 145.58 40.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.843 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 164.11 83.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 0.8 5.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.293 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.6 m -140.18 125.76 19.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.7 t -172.23 122.69 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.517 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 m -86.99 174.48 8.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.823 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.5 p -82.49 46.65 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -161.68 -164.67 17.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.464 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 4' ' ' GLY . 78.3 p -34.94 123.92 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.863 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -119.5 90.1 3.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.22 167.27 2.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.444 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.8 mt -85.52 146.57 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.331 . . . . 0.0 111.127 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -109.02 165.26 11.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.7 t -84.37 123.27 30.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.6 m -72.25 4.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.5 t -110.34 -54.5 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.3 p -116.55 -12.93 10.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 97.05 -21.99 43.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 10' ' ' CYS . 31.2 t70 -45.33 139.45 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.926 0.394 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -46.15 102.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.3 t -54.24 144.98 18.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.9 t -89.73 -12.76 38.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 157.32 -170.49 34.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.487 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.511 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 16.9 ttmt -84.85 78.65 9.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.33 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -88.46 135.53 33.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.546 ' CE1' HG21 ' A' ' 80' ' ' VAL . 25.2 m-85 55.17 34.69 23.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.76 22.37 76.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -152.05 144.81 24.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.909 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.511 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 46.4 m-85 -79.37 110.9 15.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.6 p -143.86 160.28 41.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.9 p -76.08 177.54 7.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -73.82 -28.61 61.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.27 -40.5 94.75 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 76.4 m -86.24 -37.26 18.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -47.39 -53.59 13.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.0 t -75.29 -46.18 35.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.546 ' CE2' ' HD3' ' A' ' 66' ' ' ARG . 61.8 t80 -50.12 -33.2 18.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.482 ' CE1' ' CG2' ' A' ' 38' ' ' VAL . 43.5 t80 -74.92 -46.95 32.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.3 ttpm? -64.47 -63.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' LYS . 2.5 ptm180 -38.03 -26.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 35' ' ' LYS . 65.4 p -98.28 -39.35 8.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.482 ' CG2' ' CE1' ' A' ' 34' ' ' PHE . 73.0 t -73.94 -57.35 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.431 ' C ' ' HD3' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -58.95 -23.87 61.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.416 ' C ' ' OD1' ' A' ' 41' ' ' ASN . 28.8 mtt180 -97.24 -20.55 17.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.416 ' OD1' ' C ' ' A' ' 40' ' ' ARG . 1.1 m120 68.69 54.81 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.4 mt -94.62 177.09 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.3 m -154.23 115.82 4.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -94.96 135.44 36.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 46' ' ' CYS . 21.4 m -98.54 87.59 3.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.493 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 45.4 t -37.83 114.4 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -77.86 11.07 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -129.24 -172.71 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.449 ' O ' ' CG ' ' A' ' 51' ' ' ASN . 17.6 m-80 -79.55 39.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.472 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 67.0 mtp180 40.63 37.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 49' ' ' ASN . 63.4 m-20 -124.68 13.15 8.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.9 m -59.1 127.31 83.68 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.637 0.732 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 89.39 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.73 2.287 . . . . 0.0 112.314 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.404 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 50.0 mm -71.38 98.75 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -147.06 160.63 42.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 58' ' ' HIS . 2.3 tp-100 -56.75 -67.04 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.488 ' O ' ' C ' ' A' ' 58' ' ' HIS . 8.0 m170 33.83 35.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.488 ' C ' ' O ' ' A' ' 57' ' ' HIS . 9.8 p-80 30.76 47.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -154.97 154.23 32.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -54.9 178.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 62' ' ' CYS . 3.6 pt20 -165.94 154.69 11.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 61' ' ' GLN . 35.4 t -35.73 151.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -87.52 -47.83 8.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.493 ' CD2' ' HB2' ' A' ' 46' ' ' CYS . 7.2 t80 -66.45 -66.86 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.48 ' N ' ' CD2' ' A' ' 64' ' ' TYR . 81.8 m -40.96 -45.38 2.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.546 ' HD3' ' CE2' ' A' ' 33' ' ' PHE . 13.8 ttt180 -68.89 -45.1 71.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.75 -48.56 79.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 70' ' ' CYS . 13.4 mmmm -63.19 -50.92 68.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -38.44 -26.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 68' ' ' LYS . 77.6 m -68.77 -48.36 63.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' LYS . 31.4 mt -69.51 -13.9 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.409 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 1.7 tmtp? -87.66 -58.13 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.424 ' CG2' ' HG3' ' A' ' 75' ' ' MET . 28.5 m -50.83 -37.56 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 152.41 -33.42 0.84 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.424 ' HG3' ' CG2' ' A' ' 73' ' ' VAL . 47.2 mtp -35.67 111.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.721 0.296 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -96.56 131.4 43.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.0 mtm180 -57.49 -47.47 81.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -41.25 -40.24 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.33 -50.1 74.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.063 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.546 HG21 ' CE1' ' A' ' 22' ' ' TYR . 55.4 t -54.35 -46.08 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -146.52 129.27 16.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -107.82 -47.92 3.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -109.18 103.83 1.84 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 49.2 m -92.16 -48.66 6.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.913 0.387 . . . . 0.0 110.845 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 162.79 -162.94 34.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.457 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 85.82 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.722 2.281 . . . . 0.0 112.336 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 t -136.0 168.54 19.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.3 p -154.13 146.85 24.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.494 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 m -121.1 162.5 19.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -129.09 134.63 48.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -82.31 36.55 2.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.49 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 4' ' ' GLY . 58.6 m 34.11 47.11 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 m -101.81 41.54 1.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.97 173.15 13.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.443 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.559 ' CD1' ' CE1' ' A' ' 25' ' ' PHE . 39.3 mt -77.99 153.35 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.744 0.307 . . . . 0.0 111.173 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -111.99 166.86 10.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.2 t -81.37 120.61 25.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.0 m -69.66 1.81 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.407 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 49.7 t -106.11 -55.15 5.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.7 p -112.76 -17.75 12.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 10' ' ' CYS . . . 97.18 -7.01 64.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.473 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 10' ' ' CYS . 21.5 t70 -64.01 139.85 58.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.9 0.381 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.83 104.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.8 t -61.95 141.85 57.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.0 t -82.67 -25.19 33.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.71 167.84 31.64 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 9.9 ttmm -70.71 79.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.562 ' CD2' ' HG3' ' A' ' 31' ' ' LYS . 3.4 t60 -90.01 136.2 33.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.449 ' CE2' ' HD2' ' A' ' 21' ' ' HIS . 35.8 m-85 58.9 46.45 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.19 16.08 47.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 21' ' ' HIS . 5.4 tp-100 -149.88 155.24 39.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CE1' ' CD1' ' A' ' 8' ' ' ILE . 38.2 m-85 -89.83 115.65 27.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.2 p -140.49 151.84 45.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.5 p -73.07 176.44 5.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -73.15 -18.68 61.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.58 -39.16 30.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.464 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 72.3 m -90.3 -37.74 13.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.919 0.39 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.562 ' HG3' ' CD2' ' A' ' 21' ' ' HIS . 14.5 ttpt -42.47 -45.41 4.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 93.1 p -82.21 -45.47 15.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.4 ' CB ' HH21 ' A' ' 66' ' ' ARG . 62.1 t80 -49.94 -35.09 22.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.827 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.469 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 53.0 t80 -72.78 -45.89 56.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 36' ' ' ARG . 14.3 ttpt -68.04 -64.29 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.403 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 4.2 ptp180 -39.46 -30.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.7 p -89.15 -41.26 12.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 34' ' ' PHE . 85.2 t -72.9 -60.19 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.494 ' HG3' ' N ' ' A' ' 40' ' ' ARG . 2.0 ptp180 -50.12 -33.98 20.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.494 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 26.7 mtp180 -91.39 -18.08 24.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.831 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.1 m120 67.64 36.13 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.8 mt -67.36 172.64 4.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.5 m -153.46 109.3 3.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.52 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 4.7 m-85 -96.05 155.78 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 45' ' ' THR . 1.9 t -109.37 121.16 44.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.185 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 44.2 t -73.18 117.73 15.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.807 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.2 mtt85 -80.75 19.58 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -141.64 -174.97 4.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -78.07 42.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 43.61 32.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -124.08 14.98 9.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.3 m -56.26 128.68 73.27 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.647 0.737 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 89.24 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.343 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.3 mm -71.35 109.19 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.569 ' OD2' ' CD2' ' A' ' 58' ' ' HIS . 2.2 p-10 -133.85 177.78 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' HIS . 3.0 tp-100 -94.8 -30.27 14.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.422 ' C ' ' O ' ' A' ' 56' ' ' GLN . 16.9 m-70 -36.57 -62.14 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.569 ' CD2' ' OD2' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -90.74 -178.39 5.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -124.65 -35.67 2.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -78.86 53.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.478 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 6.4 pt20 -85.61 162.41 18.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 52.4 t -49.44 147.84 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.52 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 36.1 mt-30 -86.1 -57.5 3.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.493 ' CZ ' ' HG3' ' A' ' 68' ' ' LYS . 18.7 t80 -56.82 -61.5 2.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 57.7 m -47.51 -57.17 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.4 HH21 ' CB ' ' A' ' 33' ' ' PHE . 40.7 ttt180 -49.93 -50.0 47.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.402 ' HG ' ' N ' ' A' ' 68' ' ' LYS . 1.5 tp -58.09 -57.94 10.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.493 ' HG3' ' CZ ' ' A' ' 64' ' ' TYR . 25.2 mmmt -49.77 -49.78 47.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.3 -25.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.483 ' N ' ' O ' ' A' ' 68' ' ' LYS . 56.2 m -75.73 -48.87 20.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' LYS . 39.0 mt -67.58 -9.79 46.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -95.98 -58.28 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.1 m -48.08 -36.11 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 151.75 -26.1 0.94 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 69.0 mtp -50.1 116.99 2.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.747 0.308 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.439 ' HB2' ' CD ' ' A' ' 78' ' ' GLU . 26.6 ptt180 -98.57 160.07 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -83.49 -47.46 11.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.439 ' CD ' ' HB2' ' A' ' 76' ' ' ARG . 17.0 pm0 -42.58 -28.97 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.54 -51.28 52.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.3 t -52.49 -36.48 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -138.43 117.99 13.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -70.33 124.75 24.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 133.31 66.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.439 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.0 m -116.43 86.58 2.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.89 0.376 . . . . 0.0 110.853 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 136.89 -131.91 5.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.526 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 130.95 20.27 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.342 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 95.0 p -41.56 -44.64 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 72.0 p -65.08 143.91 57.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.817 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.44 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 3' ' ' SER . 89.1 p -127.47 174.02 9.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.944 0.402 . . . . 0.0 110.81 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 2' ' ' SER . 34.9 t -35.06 -58.86 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.857 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.66 105.27 2.62 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -85.67 86.35 7.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 110.837 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.3 m -102.9 -46.85 4.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.34 163.96 25.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.571 HD11 ' CE1' ' A' ' 25' ' ' PHE . 18.1 mt -84.43 143.22 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.728 0.299 . . . . 0.0 111.169 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -104.03 168.27 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 15' ' ' ASP . 49.7 t -84.01 127.16 33.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.9 m -75.83 9.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.4 t -115.53 -57.65 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.6 p -110.33 -16.45 13.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.92 -14.59 62.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.52 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 10' ' ' CYS . 36.8 t0 -55.67 141.82 36.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.919 0.39 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.91 104.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 8' ' ' ILE . 13.6 t -51.48 143.54 11.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.0 p -101.39 29.69 4.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.98 176.59 15.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -89.0 79.34 7.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.793 0.33 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -90.92 128.56 36.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.826 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.539 ' CE1' HG23 ' A' ' 80' ' ' VAL . 25.4 m-85 67.63 38.62 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.02 22.51 62.68 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.507 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -151.48 142.32 22.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.934 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CE1' HD11 ' A' ' 8' ' ' ILE . 19.1 m-85 -77.65 105.94 9.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.2 p -137.64 150.96 47.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.3 p -69.98 170.68 10.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -65.81 -35.13 79.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.39 -38.86 96.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 75.0 m -87.87 -39.0 15.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.361 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -44.26 -50.87 8.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.1 t -77.7 -47.93 17.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.8 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -47.49 -36.91 10.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -70.49 -50.42 38.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 38' ' ' VAL . 14.8 ttpt -62.97 -62.65 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' LYS . 8.3 ptm180 -37.93 -28.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 35' ' ' LYS . 59.9 p -94.93 -35.16 12.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 35' ' ' LYS . 94.9 t -77.42 -67.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.413 ' HD3' ' C ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -47.82 -27.42 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -93.26 -20.47 20.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' VAL . 10.5 t-20 70.64 32.31 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.7 mt -66.92 169.99 7.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.8 m -151.88 109.99 3.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -93.82 149.29 21.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.0 m -112.65 97.88 6.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.137 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.4 t -58.89 106.11 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -62.54 -8.02 5.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.95 -173.46 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -80.95 35.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.427 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 46.7 mtt-85 44.67 39.57 3.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 51.9 p30 -130.04 17.11 5.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.5 m -60.96 132.73 92.21 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 103.45 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.682 2.255 . . . . 0.0 112.358 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 25.5 mm -85.04 115.86 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.168 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.6 p30 -150.84 171.69 16.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' HIS . 4.1 tp-100 -87.35 -51.42 5.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' GLN . 45.0 m-70 -37.21 -55.47 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -58.26 127.36 31.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -43.06 -68.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -123.82 145.6 48.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 62' ' ' CYS . 0.9 OUTLIER -131.54 158.42 40.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 61' ' ' GLN . 49.3 t -36.24 150.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -84.8 -60.63 2.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.53 ' CD1' ' N ' ' A' ' 65' ' ' CYS . 2.4 t80 -54.02 -63.66 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.53 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 64.2 m -43.78 -61.12 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -49.03 -47.88 44.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.0 tp -57.41 -56.84 16.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -48.47 -47.38 38.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -45.02 -24.99 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.0 m -73.04 -53.43 11.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.5 mt -64.56 -11.83 38.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.431 ' HD2' ' N ' ' A' ' 73' ' ' VAL . 0.6 OUTLIER -93.04 -59.62 2.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.431 ' N ' ' HD2' ' A' ' 72' ' ' LYS . 24.1 m -44.96 -31.86 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 147.58 -30.27 1.42 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 74.2 mtp -41.85 117.66 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -102.0 144.43 30.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 78' ' ' GLU . 89.9 mtm-85 -70.68 -48.03 56.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 77' ' ' ARG . 10.8 pt-20 -34.62 -44.65 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.412 ' N ' ' HG3' ' A' ' 78' ' ' GLU . . . -60.55 -53.45 57.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.539 HG23 ' CE1' ' A' ' 22' ' ' TYR . 61.7 t -42.82 -47.44 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.92 136.13 30.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -76.26 83.65 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -114.96 99.65 0.93 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.48 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.2 t -99.24 81.31 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.379 . . . . 0.0 110.842 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 177.23 154.65 12.33 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 162.08 43.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.732 2.288 . . . . 0.0 112.337 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.6 t -101.53 42.51 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.0 m -68.51 -61.28 1.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.502 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 3' ' ' SER . 3.2 m -73.45 -54.56 7.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 2' ' ' SER . 7.5 t -37.03 101.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.67 156.48 8.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.481 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -112.91 79.61 1.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.915 0.388 . . . . 0.0 110.855 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -64.65 172.65 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.76 157.59 4.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.9 mt -88.01 147.39 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.774 0.321 . . . . 0.0 111.134 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.7 170.0 8.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 15' ' ' ASP . 43.6 t -80.62 125.47 30.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.7 m -75.11 7.69 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.7 t -113.66 -53.39 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 56' ' ' GLN . 26.6 p -113.58 -17.32 12.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 95.49 -4.39 66.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.451 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 10' ' ' CYS . 21.8 t70 -66.62 139.93 57.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -41.02 107.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 t -60.9 149.02 37.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.0 p -100.9 15.84 27.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.28 172.29 13.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -73.86 76.76 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -83.82 118.9 24.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.488 ' CD2' ' HE1' ' A' ' 75' ' ' MET . 30.5 m-85 70.09 40.28 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.69 15.42 64.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.426 ' NE2' ' HA3' ' A' ' 74' ' ' GLY . 5.6 tp-100 -146.13 148.57 32.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.941 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -83.26 104.89 13.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.1 p -138.1 154.06 49.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.6 p -71.39 173.32 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -69.37 -30.65 68.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.56 -45.33 96.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 61.3 m -83.74 -37.4 22.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.929 0.395 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -45.1 -55.44 5.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -71.44 -42.98 67.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.447 ' CE2' ' HG2' ' A' ' 66' ' ' ARG . 74.1 t80 -52.97 -35.27 58.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.558 ' CZ ' HG23 ' A' ' 38' ' ' VAL . 42.5 t80 -70.19 -47.01 63.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.563 ' HG2' ' N ' ' A' ' 36' ' ' ARG . 11.4 ttmt -65.0 -67.87 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.563 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 5.8 ptm180 -34.99 -31.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.817 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 35' ' ' LYS . 35.5 p -89.9 -41.97 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.558 HG23 ' CZ ' ' A' ' 34' ' ' PHE . 28.8 t -70.56 -57.4 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.493 ' HG3' ' N ' ' A' ' 40' ' ' ARG . 1.3 ptp180 -54.02 -33.28 56.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.493 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 26.0 mtp180 -90.79 -19.13 23.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 m120 69.21 38.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.6 mt -72.71 167.92 19.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 89.9 m -152.13 111.04 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -99.72 158.14 15.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.0 t -113.48 140.09 48.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.1 t -105.24 97.38 7.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -51.93 -16.61 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.433 ' C ' ' H ' ' A' ' 50' ' ' ARG . . . -88.24 -172.41 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -79.57 23.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.448 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 80.7 mtt85 53.88 39.54 30.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -130.46 20.23 5.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.3 m -59.63 128.17 85.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.626 0.726 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 90.52 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.246 . . . . 0.0 112.354 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.2 mm -71.96 93.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.527 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 8.0 t0 -114.26 -173.74 2.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' HIS . 3.7 tp-100 -106.47 -38.81 6.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.416 ' C ' ' O ' ' A' ' 56' ' ' GLN . 25.3 m-70 -36.84 -61.54 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -80.29 149.16 30.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.43 ' C ' ' HD3' ' A' ' 59' ' ' ARG . 0.6 OUTLIER -81.41 -37.26 28.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.416 ' C ' ' HG2' ' A' ' 61' ' ' GLN . 38.8 m-20 -77.57 134.29 38.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 41.9 mm-40 -149.86 148.73 29.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.7 t -64.58 125.3 24.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -56.07 -68.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.528 ' CD2' ' N ' ' A' ' 65' ' ' CYS . 18.5 t80 -47.55 -72.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.528 ' N ' ' CD2' ' A' ' 64' ' ' TYR . 36.3 m -36.45 -50.16 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.447 ' HG2' ' CE2' ' A' ' 33' ' ' PHE . 27.0 ttt180 -59.13 -63.48 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.6 -51.81 14.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.525 ' HG3' ' CZ ' ' A' ' 64' ' ' TYR . 1.3 mmmp? -58.86 -51.87 68.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -37.03 -28.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 68' ' ' LYS . 70.8 m -65.17 -53.27 47.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.452 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 11.9 mt -66.17 -9.97 36.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -94.11 -56.97 2.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 26.6 m -52.72 -35.34 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.426 ' HA3' ' NE2' ' A' ' 24' ' ' GLN . . . 150.32 -29.79 1.08 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.521 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.493 ' HE1' ' CD2' ' A' ' 34' ' ' PHE . 33.1 mmm -41.47 132.15 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.82 0.343 . . . . 0.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -109.31 148.12 31.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.452 ' HG3' ' CD2' ' A' ' 71' ' ' LEU . 43.3 mtp180 -79.77 -38.05 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -50.68 -30.44 13.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.63 -50.74 48.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 80.8 t -41.31 -43.3 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -109.91 69.13 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.3 ttp85 -142.99 131.42 22.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 110.0 89.48 1.98 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.7 t -78.71 144.04 35.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.912 0.387 . . . . 0.0 110.839 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 155.16 78.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.523 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 87' ' ' SER . 53.6 Cg_endo -69.75 -46.84 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 86' ' ' PRO . 2.5 t -36.86 -61.17 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.8 p -53.02 94.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.834 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.506 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 p -93.44 -43.46 8.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.3 p -137.66 174.84 10.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.81 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.74 156.24 40.23 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 p -139.39 124.23 18.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.925 0.393 . . . . 0.0 110.833 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -105.15 45.92 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.49 177.21 16.42 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.432 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.6 mt -90.07 144.72 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.776 0.322 . . . . 0.0 111.134 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -111.76 163.97 13.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.5 t -79.04 125.32 29.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.1 m -75.01 6.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.427 HG11 ' NE ' ' A' ' 66' ' ' ARG . 83.0 t -112.29 -54.32 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.436 ' HB2' ' CA ' ' A' ' 56' ' ' GLN . 29.0 p -115.96 -14.1 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 96.72 -15.6 62.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 10' ' ' CYS . 36.6 t0 -50.48 140.06 14.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.366 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -47.89 107.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.3 t -63.58 143.1 58.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.4 p -89.41 -14.23 35.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 161.14 -177.24 37.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 5.3 ttmm -77.28 95.48 4.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -104.26 124.36 49.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 62.36 44.69 7.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.69 19.01 57.78 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.53 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -151.73 141.51 21.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.341 . . . . 0.0 110.932 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.407 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 38.7 m-85 -76.97 107.66 9.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.6 p -140.37 146.13 38.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.4 p -64.22 164.53 10.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -63.5 -30.24 71.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.96 -35.95 91.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.43 ' HB3' ' NH2' ' A' ' 66' ' ' ARG . 83.0 m -88.02 -39.11 14.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -48.37 -47.71 37.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 85.3 p -72.38 -54.22 10.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.551 ' CE1' ' HG3' ' A' ' 66' ' ' ARG . 3.6 t80 -46.27 -37.07 6.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.475 ' CE1' ' CG2' ' A' ' 38' ' ' VAL . 42.8 t80 -67.26 -50.52 60.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 37' ' ' SER . 18.2 ttpt -60.94 -63.9 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' LYS . 13.6 ptt180 -36.95 -28.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 35' ' ' LYS . 95.9 p -96.71 -35.53 10.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' LYS . 73.4 t -75.02 -56.01 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.433 ' C ' ' HD3' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -60.49 -24.85 65.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.8 mtt180 -97.56 -18.13 19.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.1 m120 65.39 53.79 1.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.1 mt -93.19 143.2 26.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.1 m -126.09 86.96 2.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.504 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 20.6 m-85 -60.75 149.62 35.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.4 m -105.35 99.65 9.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.162 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.487 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 51.0 t -59.08 110.29 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.01 19.35 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -133.26 -171.83 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 51' ' ' ASN . 6.1 m120 -79.09 40.76 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.505 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 43.9 mtm180 37.56 30.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.4 p-10 -120.41 14.28 11.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.4 m -58.04 129.99 82.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.588 0.709 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 112.54 3.11 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.359 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.3 mm -96.55 99.31 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.447 ' O ' ' CD ' ' A' ' 61' ' ' GLN . 2.4 m-20 -132.35 -178.05 4.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.499 ' HG3' ' CD2' ' A' ' 57' ' ' HIS . 3.3 tp-100 -88.2 -52.75 5.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.499 ' CD2' ' HG3' ' A' ' 56' ' ' GLN . 2.2 m-70 -92.8 50.13 1.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -128.39 158.37 38.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 60' ' ' ASN . 17.5 mmm180 -57.54 -177.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 59' ' ' ARG . 26.3 t-20 -34.93 107.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.447 ' CD ' ' O ' ' A' ' 55' ' ' ASP . 24.3 mt-30 -78.36 115.84 18.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 61' ' ' GLN . 26.3 t -36.56 146.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.504 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 77.0 mt-30 -76.8 -62.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.566 ' CD1' ' N ' ' A' ' 65' ' ' CYS . 2.9 t80 -52.88 -66.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.566 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 39.9 m -38.88 -48.26 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.551 ' HG3' ' CE1' ' A' ' 33' ' ' PHE . 2.6 tpt180 -64.15 -64.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.432 ' CD1' ' C ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -43.17 -39.67 2.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.487 ' HG3' ' CE2' ' A' ' 64' ' ' TYR . 49.0 mmtt -71.72 -40.32 69.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.83 -24.19 8.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 86.3 m -67.96 -52.92 30.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.11 -25.99 68.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 7.5 tmtt? -75.48 -55.78 5.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.453 ' CG2' ' HG3' ' A' ' 75' ' ' MET . 27.3 m -53.78 -26.34 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 139.8 -35.1 1.96 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.453 ' HG3' ' CG2' ' A' ' 73' ' ' VAL . 59.3 mtp -36.58 117.88 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.738 0.304 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 76' ' ' ARG . 4.7 ptp180 -99.66 137.11 38.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -61.18 -50.09 74.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -40.72 -35.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.95 -50.04 75.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.461 HG21 ' CG1' ' A' ' 38' ' ' VAL . 70.6 t -46.22 -53.67 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.166 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.45 ' CD ' ' O ' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -124.11 110.05 14.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.9 ttt-85 -123.54 42.76 3.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 144.89 69.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.2 m -123.98 93.03 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.937 0.399 . . . . 0.0 110.895 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -146.87 69.04 0.38 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 143.95 52.26 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.325 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 57.7 m -81.57 109.64 16.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.9 t -120.51 41.93 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.485 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -96.93 -48.41 5.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.844 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t -123.02 83.31 2.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 155.1 -39.94 0.62 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 4' ' ' GLY . 96.6 p -37.27 139.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.91 0.386 . . . . 0.0 110.844 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 p -120.36 151.87 38.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.845 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.82 165.88 34.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.488 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.534 HD13 ' CD1' ' A' ' 25' ' ' PHE . 11.0 mt -75.77 163.58 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 111.116 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -122.89 168.82 11.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 15' ' ' ASP . 47.3 t -84.01 120.18 25.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.4 m -70.46 2.52 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.8 t -106.67 -50.9 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.7 p -117.3 -16.99 10.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 10' ' ' CYS . . . 95.41 -7.05 68.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.517 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 10' ' ' CYS . 25.7 t0 -63.46 139.49 58.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.27 107.44 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.4 t -63.54 146.48 53.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.0 t -88.77 -16.31 32.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.44 -179.72 39.06 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.456 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.519 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 15.7 ttmt -78.37 84.25 4.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.758 0.313 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -92.36 116.6 29.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 68.19 47.66 0.99 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.19 19.34 51.71 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -151.98 143.19 23.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.954 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.534 ' CD1' HD13 ' A' ' 8' ' ' ILE . 68.5 m-85 -82.79 111.78 19.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.8 p -142.33 138.48 31.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.8 p -53.49 174.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -73.78 -25.23 60.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.07 -40.46 93.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 59.6 m -89.77 -28.44 19.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -55.35 -45.02 76.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.457 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 2.6 m -81.78 -29.8 32.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.554 ' CE2' ' HD3' ' A' ' 66' ' ' ARG . 92.6 t80 -66.2 -34.69 78.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.431 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 43.5 t80 -72.14 -43.15 65.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.431 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 36.8 tttt -67.44 -64.06 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -45.11 -22.47 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.822 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.5 p -94.2 -40.03 10.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.828 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.431 ' CG2' ' O ' ' A' ' 34' ' ' PHE . 95.2 t -78.17 -57.89 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.438 ' HB2' ' NH1' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -52.55 -29.72 26.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 -95.55 -21.07 18.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 74.68 32.09 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.7 mt -69.32 141.82 54.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.1 m -130.9 87.54 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.193 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -69.17 153.88 42.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.2 m -106.06 133.8 50.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 50.0 t -99.08 94.61 6.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -11.43 2.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.85 -173.84 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -82.58 34.53 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.491 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 64.7 mtm180 43.55 34.74 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -120.98 16.82 11.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.6 m -60.32 123.94 75.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.67 0.748 . . . . 0.0 110.81 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 85.3 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.34 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.424 ' CG2' ' OE1' ' A' ' 61' ' ' GLN . 24.8 mm -65.39 111.55 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.491 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 3.8 p30 -139.63 178.84 6.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 57' ' ' HIS . 2.4 tp-100 -90.88 -59.79 2.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 56' ' ' GLN . 55.3 m-70 -34.98 -49.94 0.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -79.55 144.97 33.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 59' ' ' ARG . 20.5 mtm105 -110.43 178.59 4.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 46.94 37.44 4.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 5.8 pt20 -64.62 168.08 6.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 49.6 t -51.09 161.52 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -99.41 -56.44 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.491 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -61.06 -54.88 39.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.963 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.443 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 56.5 m -51.01 -54.02 28.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.554 ' HD3' ' CE2' ' A' ' 33' ' ' PHE . 44.5 ttt180 -57.87 -51.29 70.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.01 -44.04 74.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 70' ' ' CYS . 32.4 mmtt -66.55 -49.98 64.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -39.27 -25.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 68' ' ' LYS . 76.1 m -69.41 -49.68 52.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 mt -70.8 -8.89 55.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.417 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 10.4 tmtt? -91.04 -54.22 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.424 ' CG2' ' HG3' ' A' ' 75' ' ' MET . 30.4 m -54.7 -38.28 42.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 153.69 -29.61 0.75 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.424 ' HE2' ' CD2' ' A' ' 34' ' ' PHE . 44.2 mtp -37.19 121.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.732 0.301 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -102.13 138.64 38.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 47.3 mtm180 -70.43 -41.83 72.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -43.25 -36.31 1.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.16 -47.68 73.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.8 t -44.46 -41.44 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -126.34 99.5 5.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.413 ' NH1' ' HB2' ' A' ' 84' ' ' SER . 0.0 OUTLIER -55.25 152.15 8.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -80.99 70.69 3.03 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.413 ' HB2' ' NH1' ' A' ' 82' ' ' ARG . 67.6 m -112.44 78.76 1.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.912 0.387 . . . . 0.0 110.869 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -126.58 -147.5 6.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 118.03 5.44 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.256 . . . . 0.0 112.335 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 t -75.62 -62.33 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.9 m -66.72 95.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.091 -0.838 . . . . 0.0 112.458 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m 67.0 44.62 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.1 p -109.05 174.52 5.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.44 64.17 4.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.528 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 p -60.49 122.93 15.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.352 . . . . 0.0 110.834 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.8 p -83.2 -49.28 9.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.29 172.47 18.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.517 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.498 HD11 ' CD1' ' A' ' 25' ' ' PHE . 14.7 mt -79.46 154.39 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 111.116 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -108.58 161.5 15.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.1 t -76.61 120.42 21.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.4 m -69.72 2.22 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.404 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 47.6 t -106.6 -56.92 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.42 ' HB2' ' C ' ' A' ' 55' ' ' ASP . 28.4 p -113.25 -15.05 12.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 98.12 -17.32 58.83 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.456 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 10' ' ' CYS . 27.6 t70 -50.41 139.3 15.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -46.72 103.99 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.1 t -56.43 146.42 24.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.823 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.7 t -91.93 -13.14 31.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.87 -171.43 36.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.526 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 20.2 ttmt -86.06 84.25 7.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.339 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -96.61 124.71 40.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.538 ' CE1' HG21 ' A' ' 80' ' ' VAL . 31.9 m-85 67.08 37.4 3.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.83 16.03 65.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.495 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -146.53 146.38 30.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.888 0.375 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.526 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 40.9 m-85 -82.11 108.35 15.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.4 p -139.91 158.76 43.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.7 p -74.9 165.8 24.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -63.44 -26.17 68.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.97 -42.45 85.3 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.8 m -85.62 -32.01 22.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.946 0.403 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -51.34 -54.17 28.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t -72.51 -46.54 54.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -49.57 -35.77 21.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.42 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 53.5 t80 -71.93 -46.47 57.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 38' ' ' VAL . 21.2 tttm -64.61 -66.07 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.457 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 5.6 ptm180 -38.01 -26.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 35' ' ' LYS . 89.9 p -95.08 -33.85 12.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.541 ' N ' ' O ' ' A' ' 35' ' ' LYS . 84.6 t -82.83 -58.72 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.479 ' HG2' ' CG ' ' A' ' 35' ' ' LYS . 2.8 ppt_? -53.56 -27.52 26.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.457 ' HG3' ' NE ' ' A' ' 39' ' ' ARG . 25.9 mtp180 -95.02 -22.06 18.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 71.94 40.89 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.4 mt -77.25 170.5 16.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.0 m -149.55 119.22 7.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.562 ' CD2' ' HB3' ' A' ' 63' ' ' GLN . 10.3 m-85 -103.6 162.06 13.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.001 0.429 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.5 m -122.56 101.83 7.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.4 t -57.54 110.52 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -64.02 -12.2 36.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.417 ' C ' ' H ' ' A' ' 50' ' ' ARG . . . -102.25 -172.23 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -80.51 31.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.417 ' H ' ' C ' ' A' ' 48' ' ' ALA . 15.9 mtm180 53.14 36.72 23.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -127.36 22.84 6.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.4 m -67.1 122.29 82.03 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 89.77 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.2 mm -67.08 107.76 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.522 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 6.2 t0 -126.59 -173.9 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -101.82 -42.89 5.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.563 ' CG ' ' N ' ' A' ' 58' ' ' HIS . 3.5 p80 -41.3 -48.55 3.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.563 ' N ' ' CG ' ' A' ' 57' ' ' HIS . 5.4 t-160 -80.35 159.98 25.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -102.59 -66.02 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -68.12 92.75 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 28.8 mm-40 -102.71 153.17 20.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 21.6 t -56.71 129.8 42.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.562 ' HB3' ' CD2' ' A' ' 44' ' ' TYR . 17.6 mt-30 -61.32 -66.8 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.542 ' CD2' ' N ' ' A' ' 65' ' ' CYS . 14.1 t80 -49.35 -72.15 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.542 ' N ' ' CD2' ' A' ' 64' ' ' TYR . 47.9 m -37.49 -59.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -49.28 -52.98 24.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 tp -57.62 -58.98 5.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.509 ' HG3' ' CZ ' ' A' ' 64' ' ' TYR . 19.8 mmtt -48.83 -44.96 39.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.72 -29.94 5.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 77.7 m -67.09 -50.84 60.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.64 -21.44 65.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -81.99 -59.4 2.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.8 m -50.54 -28.15 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 144.44 -36.71 1.44 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 74' ' ' GLY . 59.2 mtp -35.34 116.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.75 0.31 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -98.71 147.24 25.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -73.61 -40.5 63.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.9 pm0 -53.43 -30.52 40.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.03 -46.2 82.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.538 HG21 ' CE1' ' A' ' 22' ' ' TYR . 40.9 t -54.43 -60.2 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 80' ' ' VAL . 71.9 mt-30 -34.36 103.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -58.74 -64.9 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.05 155.25 35.27 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.3 t -94.35 96.28 9.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.955 0.407 . . . . 0.0 110.854 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.32 -153.74 18.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -27.99 25.87 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.717 2.278 . . . . 0.0 112.336 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.6 p -88.86 105.87 18.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.7 m -127.09 -49.01 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.193 -0.781 . . . . 0.0 112.468 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 t -96.31 159.67 14.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 0.0 110.837 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -111.47 82.83 1.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.99 -69.67 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -99.36 43.2 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.7 t -167.02 116.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.12 141.34 12.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.546 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.3 mt -85.64 146.45 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -104.61 162.8 12.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 15' ' ' ASP . 44.9 t -79.12 126.34 30.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.3 m -75.09 7.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.0 t -112.62 -56.03 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.404 ' HB2' ' CA ' ' A' ' 56' ' ' GLN . 29.5 p -114.31 -14.21 12.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.23 -20.4 50.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.539 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 10' ' ' CYS . 35.5 t0 -47.43 140.47 5.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 11.3 tmtt? -45.6 100.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 t -54.89 134.89 48.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.9 p -75.8 -22.28 56.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.99 -173.33 39.18 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -78.66 87.34 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -98.22 128.5 44.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CD2' ' HE3' ' A' ' 75' ' ' MET . 15.5 m-85 59.27 41.22 20.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.54 18.48 65.79 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -149.98 146.82 27.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -81.53 108.98 15.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.8 p -140.41 142.47 35.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.5 p -63.47 160.12 17.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.18 -39.21 59.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.23 -46.15 93.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.552 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 78.3 m -83.54 -19.28 35.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.897 0.379 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.489 ' HD2' ' N ' ' A' ' 32' ' ' SER . 2.9 tmmm? -64.6 -49.63 70.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.489 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 58.9 p -81.93 -38.14 25.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -58.57 -30.65 67.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.548 ' CD2' ' HE3' ' A' ' 75' ' ' MET . 59.9 t80 -75.03 -48.98 21.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' SER . 28.7 tttt -67.23 -62.48 1.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 35' ' ' LYS . 16.6 ptt180 -34.76 -34.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 35' ' ' LYS . 11.5 p -84.29 -50.96 7.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.97 -58.36 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.414 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -51.03 -30.0 14.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.4 ' HG3' ' CD ' ' A' ' 39' ' ' ARG . 21.8 mtp180 -93.44 -12.61 29.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.5 m120 64.28 40.47 6.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.4 mt -81.5 175.34 10.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.9 m -162.38 112.79 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.402 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 7.9 m-85 -92.2 143.79 26.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.1 m -102.51 101.26 11.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.486 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 52.5 t -61.01 109.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.28 -8.44 46.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.418 ' C ' ' H ' ' A' ' 50' ' ' ARG . . . -99.33 -172.0 2.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -79.98 34.5 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.43 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 72.3 mtt-85 44.32 29.75 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.78 22.26 10.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.9 m -63.96 130.27 94.39 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.621 0.724 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 105.27 1.45 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.352 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 50.2 mm -86.45 113.6 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.155 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.483 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 5.7 m-20 -143.88 178.99 7.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' HIS . 1.5 tp-100 -94.84 -60.59 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.547 ' CG ' ' N ' ' A' ' 58' ' ' HIS . 18.6 p80 -34.55 -52.9 0.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.547 ' N ' ' CG ' ' A' ' 57' ' ' HIS . 2.6 t-160 -66.3 145.68 55.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 60' ' ' ASN . 0.7 OUTLIER -62.17 -178.3 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.866 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 59' ' ' ARG . 5.9 m120 -33.91 112.96 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.483 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 1.1 mp0 -94.3 178.79 5.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' GLN . 53.6 t -36.71 155.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.402 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 21.7 mt-30 -91.53 -56.56 3.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.954 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.523 ' CD1' ' N ' ' A' ' 65' ' ' CYS . 0.9 OUTLIER -59.63 -59.75 4.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.868 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.523 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 66.0 m -47.83 -53.43 15.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -58.48 -55.95 28.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.53 -46.04 57.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.504 ' O ' ' N ' ' A' ' 70' ' ' CYS . 59.1 mmtt -63.01 -52.14 64.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' LYS . 4.9 ttmt -36.21 -29.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 68' ' ' LYS . 64.4 m -62.75 -57.66 10.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.444 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 9.8 mt -60.73 -17.76 50.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -83.77 -59.43 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.438 HG22 ' N ' ' A' ' 74' ' ' GLY . 35.1 m -48.13 -26.39 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.479 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 140.8 -35.5 1.85 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.472 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.572 ' HE3' ' CD2' ' A' ' 22' ' ' TYR . 33.8 mmm -32.15 139.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.838 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -113.51 149.28 34.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.444 ' HG3' ' CD2' ' A' ' 71' ' ' LEU . 17.9 mtm105 -85.11 -35.97 21.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -49.47 -39.15 32.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 80' ' ' VAL . . . -66.14 -50.24 64.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' ALA . 77.9 t -33.83 -37.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 79' ' ' ALA . 11.9 pt20 -119.35 78.09 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 83' ' ' GLY . 23.3 ttp180 -118.92 -43.04 2.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' ARG . . . -34.35 123.91 0.47 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.532 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.6 m -97.39 141.47 30.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 0.0 110.818 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -85.65 -170.54 47.19 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 104.07 1.27 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.309 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.3 m 56.01 42.17 28.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.802 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.6 m -107.47 -44.95 4.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.461 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 p -113.06 100.15 8.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.364 . . . . 0.0 110.856 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 t -63.71 132.41 50.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.94 101.68 1.47 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.52 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -64.13 99.4 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.925 0.393 . . . . 0.0 110.849 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.0 t -45.56 101.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.59 146.53 4.44 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.9 mt -92.1 142.3 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -109.88 164.15 12.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 15' ' ' ASP . 49.8 t -80.73 126.14 30.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.8 m -74.83 8.28 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.4 t -114.68 -54.58 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 56' ' ' GLN . 29.3 p -116.44 -12.89 10.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.89 -22.95 38.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 10' ' ' CYS . 19.8 t70 -43.85 138.71 2.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.895 0.379 . . . . 0.0 110.824 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -47.18 106.07 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.9 t -63.09 134.59 56.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 m -78.43 -16.93 57.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.54 -166.75 37.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 22.2 ttmt -86.02 83.17 7.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.939 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 24' ' ' GLN . 14.0 m-70 -89.88 119.45 30.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.575 ' CD2' ' HE2' ' A' ' 75' ' ' MET . 44.9 m-85 69.0 37.98 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.12 16.78 73.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.456 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 21' ' ' HIS . 4.0 tp-100 -148.84 152.31 36.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.353 . . . . 0.0 110.911 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.412 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 43.0 m-85 -84.96 102.21 12.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.1 p -136.34 144.34 44.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.144 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.9 p -62.12 173.76 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -69.53 -31.85 70.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.3 -40.06 98.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.503 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.2 m -87.09 -35.51 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.964 0.411 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -47.41 -56.78 6.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t -71.63 -45.42 62.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -50.96 -35.6 34.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -69.8 -47.13 63.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 38' ' ' VAL . 35.4 tttt -64.7 -59.59 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -43.43 -31.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.442 ' HA ' ' CD1' ' A' ' 42' ' ' LEU . 22.4 p -86.33 -30.3 22.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 35' ' ' LYS . 87.0 t -87.08 -61.46 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.48 ' HE ' ' C ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -45.97 -35.17 4.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.476 ' CG ' ' HD3' ' A' ' 39' ' ' ARG . 13.9 mtp180 -91.26 -18.55 24.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 71.4 39.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 37' ' ' SER . 10.5 mt -73.93 171.51 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.5 m -156.15 107.42 2.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.549 ' CD2' ' HB3' ' A' ' 63' ' ' GLN . 10.2 m-85 -87.18 140.55 29.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 26.4 m -103.43 87.95 2.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.474 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 49.6 t -44.76 113.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -79.71 13.2 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.08 -171.36 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 51' ' ' ASN . 6.6 m120 -78.5 41.15 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.565 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 78.1 mtt85 37.06 30.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 49' ' ' ASN . 51.6 p-10 -120.13 15.77 12.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.1 m -57.39 133.0 81.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.731 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 96.49 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.5 mm -84.53 89.39 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.498 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 6.2 m-20 -130.64 168.45 17.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.493 ' O ' ' C ' ' A' ' 57' ' ' HIS . 2.1 tp-100 -78.9 -60.49 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.493 ' C ' ' O ' ' A' ' 56' ' ' GLN . 76.0 m-70 -30.93 -54.5 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -68.7 119.12 12.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -64.2 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -72.89 137.95 45.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 33.3 mt-30 -148.24 144.26 27.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 42.1 t -53.34 161.29 0.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.549 ' HB3' ' CD2' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -96.46 -51.51 4.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.565 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 1.0 OUTLIER -64.98 -57.49 8.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.846 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.494 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 86.8 m -49.83 -47.42 51.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -62.84 -59.96 4.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.65 -49.11 48.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.516 ' HG3' ' CE2' ' A' ' 64' ' ' TYR . 1.0 OUTLIER -64.04 -47.14 81.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -39.51 -26.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 68' ' ' LYS . 71.5 m -68.85 -53.41 21.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.404 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 11.6 mt -62.32 -17.15 57.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -85.55 -60.36 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 31.4 m -48.77 -38.86 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 156.08 -34.13 0.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.468 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.575 ' HE2' ' CD2' ' A' ' 22' ' ' TYR . 30.4 mmm -33.39 138.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.739 0.304 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -117.63 143.55 46.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.837 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.404 ' HG3' ' CD2' ' A' ' 71' ' ' LEU . 89.1 mtt180 -77.54 -40.28 43.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -46.94 -27.49 1.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.2 -45.8 46.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.3 t -40.86 -42.59 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -109.22 155.28 21.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -66.11 -32.42 73.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 68.9 -147.51 46.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.9 t -107.98 154.76 21.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.97 0.414 . . . . 0.0 110.832 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -111.04 148.52 17.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 173.78 10.53 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.638 2.225 . . . . 0.0 112.376 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 m -51.94 -55.91 17.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.1 m -132.26 135.91 46.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.509 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m -82.97 46.37 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.81 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.2 p -69.94 -41.8 74.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.801 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.7 61.6 1.1 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.47 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -102.52 170.17 8.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.918 0.39 . . . . 0.0 110.842 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 7' ' ' GLY . 34.1 t -40.26 -38.3 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.4 147.15 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.46 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.485 HD13 ' CE1' ' A' ' 25' ' ' PHE . 12.3 mt -85.93 145.06 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 111.059 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -106.61 169.03 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' ASP . 49.0 t -83.13 126.45 32.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.1 m -75.83 8.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.6 t -114.83 -54.87 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.7 p -112.38 -17.99 12.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.68 -12.11 62.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 10' ' ' CYS . 38.7 t70 -60.07 141.65 55.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.368 . . . . 0.0 110.841 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -40.79 109.88 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' ILE . 12.2 t -58.23 141.28 51.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.454 ' CB ' ' HG3' ' A' ' 28' ' ' GLU . 50.7 p -100.35 29.5 4.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.97 164.68 12.89 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.523 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 17.3 ttmt -79.39 78.74 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.444 ' CD2' ' HG3' ' A' ' 31' ' ' LYS . 80.4 m-70 -87.28 123.14 31.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 71.07 42.66 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.25 21.62 57.04 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -150.14 146.71 27.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 0.0 110.953 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.523 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 18.6 m-85 -84.1 111.48 19.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.4 p -143.64 149.61 37.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.17 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 23.2 p -66.84 173.23 3.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.454 ' HG3' ' CB ' ' A' ' 18' ' ' SER . 38.6 mt-10 -69.35 -25.37 64.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.86 -44.22 70.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.461 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 63.6 m -84.49 -32.38 24.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.959 0.409 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -51.66 -50.03 61.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.477 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 78.2 p -78.12 -38.71 43.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -58.72 -33.73 70.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.561 ' CZ ' HG22 ' A' ' 38' ' ' VAL . 47.6 t80 -72.12 -44.72 62.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 37' ' ' SER . 6.2 ttmt -65.7 -66.79 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 37' ' ' SER . 4.6 ptm180 -36.14 -29.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 35' ' ' LYS . 83.9 p -91.66 -43.39 9.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.561 HG22 ' CZ ' ' A' ' 34' ' ' PHE . 79.4 t -70.75 -65.58 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.165 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.458 ' C ' ' HD3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -49.0 -24.76 1.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 36' ' ' ARG . 59.1 mtp85 -95.01 -21.34 18.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 70.82 36.03 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.416 ' CD1' ' HA ' ' A' ' 37' ' ' SER . 12.5 mt -72.7 172.36 10.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.4 m -157.6 105.79 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.492 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 22.5 m-85 -89.37 142.81 27.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.8 m -99.9 90.71 4.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.575 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 41.6 t -38.18 119.35 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -81.06 18.25 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.403 ' C ' ' H ' ' A' ' 50' ' ' ARG . . . -142.13 -174.98 4.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -77.72 41.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.563 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 76.9 mtt85 43.32 37.99 1.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -124.11 14.89 9.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 36.7 m -59.46 130.96 87.92 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.656 0.741 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 100.22 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.665 2.243 . . . . 0.0 112.373 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.408 ' CG2' ' HD3' ' A' ' 66' ' ' ARG . 48.4 mm -88.67 88.1 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -128.0 175.3 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.455 ' O ' ' C ' ' A' ' 57' ' ' HIS . 3.9 tp-100 -80.82 -42.33 21.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.455 ' C ' ' O ' ' A' ' 56' ' ' GLN . 13.1 m170 -34.08 -47.99 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -84.41 140.65 31.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -71.39 -62.45 1.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -115.07 126.12 54.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 62' ' ' CYS . 2.2 mp0 -128.11 177.57 6.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' GLN . 42.1 t -34.69 151.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.492 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 18.9 mt-30 -90.79 -47.7 7.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.575 ' CD1' ' HB2' ' A' ' 46' ' ' CYS . 3.9 t80 -64.88 -61.77 1.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.473 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 85.6 m -44.99 -54.11 6.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.408 ' HD3' ' CG2' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -55.31 -64.13 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.474 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -46.98 -41.85 16.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.483 ' HG3' ' CZ ' ' A' ' 64' ' ' TYR . 29.2 mmtt -65.2 -50.43 65.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -43.35 -25.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 89.9 m -69.64 -47.14 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.75 -15.14 60.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.14 -53.9 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.417 ' CG2' ' HG3' ' A' ' 75' ' ' MET . 22.6 m -53.12 -42.4 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 160.25 -34.75 0.43 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.446 ' C ' ' O ' ' A' ' 74' ' ' GLY . 28.3 mtp -34.69 126.7 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -109.23 144.52 37.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.84 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 29.9 mtm180 -73.56 -43.86 58.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -42.05 -35.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.83 -47.11 55.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.148 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.9 t -41.41 -54.56 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -107.89 133.15 52.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.1 ptt-85 -96.91 117.29 30.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 129.82 67.25 0.11 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 59.6 p -51.71 174.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.934 0.397 . . . . 0.0 110.817 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 154.88 -161.76 30.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 130.23 19.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.671 2.247 . . . . 0.0 112.341 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.5 t -116.85 122.06 43.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.4 t -42.07 126.86 3.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.19 -0.783 . . . . 0.0 112.497 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 m -69.84 89.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.831 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 m -101.79 84.34 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.46 105.49 1.24 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -130.09 151.48 50.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.877 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p 40.49 45.06 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.27 163.89 19.07 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.478 HD11 ' CD1' ' A' ' 25' ' ' PHE . 9.4 mt -85.62 147.88 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.776 0.322 . . . . 0.0 111.138 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -105.83 169.79 8.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.484 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.2 t -83.08 123.81 29.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.4 m -75.43 7.43 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.9 t -111.86 -52.39 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.7 p -116.26 -17.49 10.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 96.85 -6.5 64.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 10' ' ' CYS . 38.6 t0 -63.91 144.29 57.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.903 0.382 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -45.47 106.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 t -62.4 140.58 58.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 t -82.35 -20.07 38.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.44 -169.05 39.07 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.443 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 8.2 ttmm -87.71 83.68 7.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.836 0.351 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -95.37 121.2 36.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.502 ' CE1' HG22 ' A' ' 80' ' ' VAL . 27.7 m-85 69.85 39.08 1.5 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.15 23.25 69.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -152.31 149.81 29.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.478 ' CD1' HD11 ' A' ' 8' ' ' ILE . 50.2 m-85 -87.11 106.52 17.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.0 p -139.38 153.92 47.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.2 p -72.38 158.59 35.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.34 -38.14 65.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.08 -44.86 92.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 96.9 m -81.05 -37.42 29.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -47.54 -51.81 19.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.9 p -72.2 -50.08 30.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.456 ' HA ' ' NE ' ' A' ' 36' ' ' ARG . 65.0 t80 -49.54 -35.7 21.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -70.15 -45.53 66.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 37' ' ' SER . 5.9 ttmt -67.65 -61.32 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.456 ' NE ' ' HA ' ' A' ' 33' ' ' PHE . 9.1 ptp180 -37.38 -27.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 35' ' ' LYS . 85.4 p -98.39 -33.5 11.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 35' ' ' LYS . 55.1 t -77.28 -56.39 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.442 ' C ' ' HD3' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -59.72 -29.95 68.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -92.77 -21.44 19.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.0 t30 70.85 43.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.3 mt -83.8 169.49 15.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.5 m -154.44 112.88 3.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -94.56 163.33 13.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.6 t -107.82 132.18 53.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.488 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 34.9 t -84.03 115.56 22.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -81.5 23.14 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.401 ' C ' ' H ' ' A' ' 50' ' ' ARG . . . -144.16 -175.04 4.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -77.48 41.93 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.525 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 77.9 mtm180 40.72 34.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -126.65 16.01 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.7 m -56.31 126.96 70.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.64 0.733 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 87.64 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.2 mm -69.65 98.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.492 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 2.4 t70 -123.09 178.71 4.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -90.99 -44.33 9.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -38.38 -58.56 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.822 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -78.4 144.45 35.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -91.91 -64.24 1.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -69.82 88.88 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 4.5 pt20 -114.42 155.04 27.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 45.3 t -38.27 149.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -89.28 -54.42 4.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.525 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 1.4 t80 -58.65 -60.29 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.511 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 51.6 m -46.8 -54.28 10.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.447 ' HG2' ' CE2' ' A' ' 33' ' ' PHE . 54.8 ttt180 -56.22 -50.06 72.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.467 HD13 ' N ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -56.63 -57.59 11.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.508 ' HG3' ' CE2' ' A' ' 64' ' ' TYR . 1.1 mmmp? -54.24 -49.68 68.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 68' ' ' LYS . 1.7 ttmt -38.36 -26.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' LYS . 68.8 m -70.35 -51.4 30.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 23.6 mt -67.12 -9.86 44.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.0 -57.95 2.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.8 m -50.05 -33.78 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 148.85 -30.93 1.23 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 69.8 mtp -38.13 124.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.745 0.307 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.428 ' CZ ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 ptm180 -104.62 142.6 34.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -73.68 -36.8 65.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.428 ' HG3' ' CZ ' ' A' ' 76' ' ' ARG . 6.4 pt-20 -52.59 -25.59 11.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.31 -34.43 59.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.502 HG22 ' CE1' ' A' ' 22' ' ' TYR . 79.7 t -74.51 65.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.97 138.39 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 59.4 mmt-85 -67.63 141.0 56.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 175.32 76.0 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 85' ' ' GLY . 1.4 t -40.67 -60.87 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.96 0.41 . . . . 0.0 110.871 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' SER . . . 37.01 83.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -2.12 9.66 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.266 . . . . 0.0 112.362 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.6 p -107.51 134.84 49.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.8 m -81.56 42.71 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.466 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.8 p -159.28 155.44 26.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 m -106.26 114.67 28.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.55 106.58 0.28 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.425 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 m -61.76 107.75 0.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -126.45 141.64 51.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.59 -168.44 15.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.482 HG22 ' CG ' ' A' ' 25' ' ' PHE . 7.8 mt -87.86 146.17 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 111.115 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.8 mp0 -106.88 166.15 10.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.7 t -77.42 120.66 22.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.5 m -71.28 3.19 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.8 t -106.9 -54.2 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.174 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.437 ' HB2' ' CA ' ' A' ' 56' ' ' GLN . 26.7 p -114.21 -17.58 11.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 96.5 -5.35 64.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 10' ' ' CYS . 36.6 t0 -64.41 141.16 58.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.927 0.394 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -43.93 107.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.3 t -67.51 140.42 57.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.9 t -80.04 -21.79 43.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.26 -176.6 38.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 18.9 ttmt -72.42 96.29 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.33 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -106.26 119.32 38.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 67.15 36.75 3.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.45 12.05 80.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -146.74 148.21 31.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.867 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.482 ' CG ' HG22 ' A' ' 8' ' ' ILE . 57.0 m-85 -83.3 107.81 16.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.1 p -138.88 144.9 39.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.9 p -61.54 175.15 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -72.26 -29.46 63.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.41 -38.93 95.45 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 77.1 m -87.39 -39.89 14.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.91 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -42.86 -49.2 5.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.8 m -75.77 -46.54 30.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.785 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -48.96 -31.65 7.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.484 ' CZ ' HG23 ' A' ' 38' ' ' VAL . 71.9 t80 -75.4 -52.74 10.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.405 ' C ' ' N ' ' A' ' 37' ' ' SER . 43.1 tttt -61.22 -58.58 7.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -43.98 -23.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 35' ' ' LYS . 52.3 p -98.27 -34.68 10.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.484 HG23 ' CZ ' ' A' ' 34' ' ' PHE . 17.9 t -78.98 -55.34 9.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.479 ' NE ' ' HG2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -53.95 -34.51 59.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.479 ' HG2' ' NE ' ' A' ' 39' ' ' ARG . 22.2 mtm180 -95.27 -16.4 22.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 m120 66.11 42.22 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.5 mt -73.28 142.82 47.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.8 m -120.33 113.59 20.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.511 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 25.5 m-85 -93.95 151.65 19.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 46' ' ' CYS . 94.1 m -115.35 85.51 2.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.554 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 40.7 t -37.05 114.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -77.96 11.91 2.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -132.55 -173.16 3.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -80.08 39.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.43 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 48.6 mtm-85 44.84 35.79 1.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -125.87 18.02 7.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.8 m -62.87 128.48 92.08 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.622 0.725 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 98.92 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.307 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.418 HD13 ' N ' ' A' ' 66' ' ' ARG . 23.6 mm -82.19 86.24 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -124.4 153.97 41.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.437 ' CA ' ' HB2' ' A' ' 13' ' ' CYS . 3.5 tp-100 -66.1 -47.8 73.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 56' ' ' GLN . 49.8 m-70 -35.89 -48.36 0.57 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -81.08 140.23 35.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.457 ' HD3' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -81.03 -42.41 21.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.457 ' N ' ' HD3' ' A' ' 59' ' ' ARG . 40.8 t30 -90.35 114.31 26.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -124.51 127.8 47.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.8 t -38.8 134.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.511 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 28.5 mm100 -63.96 -62.37 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.554 ' CD2' ' HB2' ' A' ' 46' ' ' CYS . 14.1 t80 -52.62 -72.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.541 ' N ' ' CD2' ' A' ' 64' ' ' TYR . 61.5 m -37.24 -60.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.418 ' N ' HD13 ' A' ' 54' ' ' ILE . 51.0 ttt180 -48.12 -53.78 15.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.01 -56.94 14.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 64' ' ' TYR . 19.1 mmtp -49.74 -49.55 47.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -42.99 -27.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 68.2 m -71.16 -54.25 11.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.65 -7.95 17.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -95.04 -59.2 1.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.826 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.457 ' N ' ' HD3' ' A' ' 72' ' ' LYS . 16.8 m -48.36 -39.61 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 154.48 -27.29 0.68 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.447 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 31.2 mmm -42.44 128.14 3.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.794 0.331 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.448 ' HD2' ' CG ' ' A' ' 78' ' ' GLU . 29.1 ptt180 -107.11 146.26 31.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 16.5 mtp-105 -76.4 -48.88 18.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.448 ' CG ' ' HD2' ' A' ' 76' ' ' ARG . 8.5 pt-20 -36.81 -43.93 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.22 -53.95 46.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 99.5 t -42.71 -38.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -128.63 87.6 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.3 mtt85 -47.71 173.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -139.68 -46.76 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.499 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.7 m -54.07 -61.57 2.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.25 145.6 19.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.525 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -37.48 9.08 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.241 . . . . 0.0 112.364 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.9 p -172.73 119.01 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.5 p -60.36 -46.06 91.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.489 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.622 HD13 ' CD1' ' A' ' 25' ' ' PHE . 56.9 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.775 0.321 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.431 ' N ' HG22 ' A' ' 8' ' ' ILE . 35.0 mt-10 -112.88 159.96 18.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.7 t -76.32 118.51 19.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.1 m -68.96 1.14 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.0 t -105.28 -52.08 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.1 p -117.99 -15.33 9.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 10' ' ' CYS . . . 98.17 -20.13 51.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 10' ' ' CYS . 36.0 t0 -49.81 139.59 13.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -43.39 103.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.8 t -53.57 136.93 37.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.4 p -89.57 28.27 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.75 163.3 17.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 30.9 ttmt -63.29 102.2 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.329 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -113.06 130.47 56.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.469 ' CE1' HG22 ' A' ' 80' ' ' VAL . 41.8 m-85 64.77 25.67 12.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.45 -23.71 28.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.2 tp60 -118.31 156.27 29.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.622 ' CD1' HD13 ' A' ' 8' ' ' ILE . 70.0 m-85 -81.92 111.62 18.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.715 HG21 ' SD ' ' A' ' 75' ' ' MET . 45.4 p -137.0 152.27 49.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.179 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.5 p -71.34 177.56 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -71.77 -29.27 64.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.85 -47.87 81.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.537 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 54.5 m -83.48 -28.99 28.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.933 0.397 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.487 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -52.29 -48.31 65.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.487 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 53.6 p -79.52 -41.36 27.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.45 ' CE2' ' HG2' ' A' ' 66' ' ' ARG . 68.1 t80 -56.16 -30.67 62.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.819 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.609 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 60.6 t80 -74.37 -49.28 23.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.542 ' O ' ' N ' ' A' ' 37' ' ' SER . 20.5 tttt -63.8 -63.56 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 35' ' ' LYS . 1.2 ptp180 -34.89 -30.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 35' ' ' LYS . 9.3 p -93.75 -46.5 7.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.72 HG11 HG21 ' A' ' 80' ' ' VAL . 40.0 t -63.93 -61.16 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.427 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -55.28 -27.23 45.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 66.8 mtp180 -91.25 -16.99 26.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 66.48 42.12 2.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 37' ' ' SER . 19.1 mt -80.75 175.37 10.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 51.3 m -161.25 105.66 1.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -91.53 150.87 21.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.5 m -112.81 101.68 9.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.441 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 40.0 t -58.21 107.52 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -62.45 -7.79 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -104.01 -172.58 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -81.11 31.35 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.535 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 86.7 mtt180 50.44 38.22 17.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.39 19.42 8.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.6 m -64.76 130.74 94.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.604 0.716 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 101.61 0.93 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.7 2.267 . . . . 0.0 112.314 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.465 HD12 ' HB2' ' A' ' 66' ' ' ARG . 49.5 mm -86.91 82.04 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -107.31 -178.21 3.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.963 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 46.0 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.76 0.314 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -99.14 -55.39 2.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.535 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 1.4 t80 -57.0 -47.57 80.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.9 m -60.5 -53.47 57.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.465 ' HB2' HD12 ' A' ' 54' ' ' ILE . 52.7 ttt180 -57.39 -48.19 79.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.728 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -61.9 -49.22 77.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.561 ' N ' HD13 ' A' ' 67' ' ' LEU . 33.2 mmtm -58.63 -52.12 67.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.44 ' O ' HG22 ' A' ' 73' ' ' VAL . 5.2 ttmt -37.68 -28.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' LYS . 64.9 m -65.06 -51.74 59.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.39 -14.69 63.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -86.7 -58.08 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 69' ' ' LYS . 28.4 m -53.03 -40.23 36.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 155.78 -33.34 0.62 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.545 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.715 ' SD ' HG21 ' A' ' 26' ' ' THR . 65.2 mtp -34.75 124.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -103.13 143.44 32.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 78' ' ' GLU . 61.7 mtt180 -74.86 -45.96 39.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 77' ' ' ARG . 14.6 pt-20 -36.77 -46.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 80' ' ' VAL . . . -56.88 -51.56 68.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.079 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.72 HG21 HG11 ' A' ' 38' ' ' VAL . 93.8 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.467 HD13 ' CE1' ' A' ' 25' ' ' PHE . 17.9 mt . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.775 0.322 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -108.21 162.26 14.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' ASP . 43.5 t -76.69 126.19 30.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.74 ' O ' HG11 ' A' ' 73' ' ' VAL . 12.5 m -76.59 9.08 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.3 t -114.9 -54.3 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.0 p -113.52 -16.65 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.83 -11.12 66.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 10' ' ' CYS . 27.2 t70 -58.58 141.48 52.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.369 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -44.65 103.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.6 t -57.1 144.1 35.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.8 p -96.51 23.36 6.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.04 162.04 12.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 8.5 tppt? -63.54 112.64 2.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -120.88 123.9 43.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 65.45 40.14 4.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.49 15.27 70.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.451 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.476 ' HG3' HG21 ' A' ' 11' ' ' VAL . 19.5 tp60 -152.33 137.46 17.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.595 ' O ' HG22 ' A' ' 11' ' ' VAL . 48.0 m-85 -74.33 115.58 14.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.1 p -145.15 147.04 32.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.7 p -65.05 168.09 7.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -65.56 -25.15 67.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.27 -40.24 81.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.494 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.5 m -88.78 -28.22 20.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -57.44 -42.91 83.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.475 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 20.6 t -84.21 -37.52 21.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -62.8 -34.47 77.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.534 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 58.9 t80 -69.26 -44.22 72.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.526 ' O ' ' N ' ' A' ' 37' ' ' SER . 15.3 tttp -68.85 -64.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' LYS . 2.8 ptp180 -34.83 -30.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 35' ' ' LYS . 16.8 p -92.47 -42.91 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.705 HG13 ' HE ' ' A' ' 77' ' ' ARG . 35.1 t -69.23 -62.04 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.439 ' NH1' ' HE3' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -52.78 -26.2 13.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.456 ' HB3' HD21 ' A' ' 42' ' ' LEU . 67.9 mtt180 -92.17 -21.46 20.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 73.79 33.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 37' ' ' SER . 13.5 mt -72.19 173.15 8.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.2 m -161.6 105.65 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -89.0 142.72 27.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.5 m -102.5 108.78 20.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.136 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.483 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 17.9 t -78.88 93.17 4.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -52.08 -16.06 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.483 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . . . -85.67 -171.74 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -80.16 31.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.483 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 49.6 mtm180 41.65 32.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -122.45 17.95 10.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.9 m -58.73 130.5 85.59 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.656 0.741 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 98.98 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.413 HD12 ' HB2' ' A' ' 66' ' ' ARG . 48.2 mm -83.76 98.4 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -121.71 -179.87 4.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.405 ' CD ' ' O ' ' A' ' 56' ' ' GLN . 2.4 tp-100 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 39.1 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.791 0.329 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -83.1 -50.84 8.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.483 ' CE2' ' HG2' ' A' ' 50' ' ' ARG . 25.0 t80 -59.08 -59.26 5.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.966 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 56.5 m -51.68 -48.94 63.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.413 ' HB2' HD12 ' A' ' 54' ' ' ILE . 44.3 ttt180 -59.61 -56.19 24.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.825 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -53.33 -48.63 68.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.647 ' N ' HD13 ' A' ' 67' ' ' LEU . 23.9 mmmt -61.31 -48.81 79.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.492 ' O ' HG13 ' A' ' 73' ' ' VAL . 4.6 ttmt -39.05 -25.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 68' ' ' LYS . 72.5 m -69.25 -52.38 28.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.479 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 10.1 mt -63.66 -20.81 66.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -82.9 -53.14 6.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.74 HG11 ' O ' ' A' ' 11' ' ' VAL . 22.3 m -53.51 -31.8 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.475 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 146.39 -35.44 1.33 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.442 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.475 ' C ' ' O ' ' A' ' 74' ' ' GLY . 34.4 mmm -32.52 139.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.442 ' HE ' ' CG ' ' A' ' 78' ' ' GLU . 4.6 ptm180 -109.69 150.69 27.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.705 ' HE ' HG13 ' A' ' 38' ' ' VAL . 69.3 mtp180 -88.04 -36.44 16.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.442 ' CG ' ' HE ' ' A' ' 76' ' ' ARG . 11.7 pt-20 -54.12 -40.03 66.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.31 89.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.431 ' CG1' ' HB3' ' A' ' 39' ' ' ARG . 71.5 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.516 HD13 ' CE1' ' A' ' 25' ' ' PHE . 13.7 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.789 0.328 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.422 ' N ' HG22 ' A' ' 8' ' ' ILE . 2.4 pt-20 -119.6 168.17 11.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 15' ' ' ASP . 44.6 t -83.89 123.47 29.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.655 ' O ' HG11 ' A' ' 73' ' ' VAL . 18.4 m -73.89 7.14 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.402 HG13 ' HG2' ' A' ' 69' ' ' LYS . 97.7 t -113.27 -53.59 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.1 p -114.31 -14.89 12.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 94.28 -9.86 71.83 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.54 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 10' ' ' CYS . 10.3 t70 -59.16 140.06 56.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -44.98 107.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 t -63.72 148.23 49.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 m -89.52 -19.46 25.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 166.09 -167.22 39.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.539 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 16.6 ttmt -86.23 80.03 8.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.753 0.311 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -90.24 117.49 29.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 68.93 40.66 1.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.973 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.41 18.53 61.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.439 ' HG3' HG21 ' A' ' 11' ' ' VAL . 21.9 tp60 -148.47 137.41 21.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.539 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 46.8 m-85 -75.34 105.44 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.621 HG21 ' SD ' ' A' ' 75' ' ' MET . 30.8 p -138.38 149.24 45.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.0 p -67.28 170.4 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -67.89 -25.69 65.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.06 -45.47 87.14 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.8 m -84.91 -29.19 25.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -56.44 -46.68 80.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.466 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 3.3 t -79.83 -35.53 38.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -64.92 -29.6 70.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.94 ' O ' HG23 ' A' ' 38' ' ' VAL . 37.0 t80 -74.09 -47.51 35.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 38' ' ' VAL . 35.7 tttp -65.31 -63.45 1.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' LYS . 11.1 ptp180 -35.85 -30.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 35' ' ' LYS . 92.3 p -95.89 -35.41 11.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.94 HG23 ' O ' ' A' ' 34' ' ' PHE . 87.1 t -74.64 -62.13 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.433 ' HD3' ' C ' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -54.87 -26.91 38.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.664 ' HB3' HD21 ' A' ' 42' ' ' LEU . 83.9 mtt180 -91.76 -18.17 24.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 66.1 t30 65.58 41.42 4.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 40' ' ' ARG . 12.1 mt -79.36 153.42 29.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.2 m -134.59 100.95 4.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 63' ' ' GLN . 10.2 m-85 -82.08 157.78 23.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.6 m -118.77 103.44 9.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.102 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.5 t -69.04 97.5 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -54.42 -14.43 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.48 -173.24 3.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -81.13 28.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.494 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 28.8 mtm-85 51.19 37.81 19.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -126.67 19.26 7.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.9 m -61.41 130.42 91.82 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.616 0.722 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 106.03 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.715 2.277 . . . . 0.0 112.332 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.47 HD12 ' HB2' ' A' ' 66' ' ' ARG . 52.1 mm -89.76 95.44 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.74 -174.92 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.942 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 53.2 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.776 0.322 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.431 ' HB3' ' CD2' ' A' ' 44' ' ' TYR . 34.9 mt-30 -88.61 -61.36 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.494 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 8.5 t80 -50.48 -53.19 31.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.955 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.7 m -54.72 -62.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.47 ' HB2' HD12 ' A' ' 54' ' ' ILE . 45.1 ttt180 -48.16 -51.72 23.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 tp -55.85 -57.49 11.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -48.26 -50.16 30.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.463 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -42.66 -26.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 62.0 m -69.74 -46.58 65.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 32.3 mt -70.28 -15.54 62.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.409 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 8.2 tmtm? -89.62 -56.78 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.655 HG11 ' O ' ' A' ' 11' ' ' VAL . 29.6 m -50.47 -38.34 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 154.67 -32.9 0.69 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.621 ' SD ' HG21 ' A' ' 26' ' ' THR . 29.2 mtp -39.84 117.78 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -102.1 136.07 42.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -61.36 -45.3 94.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -43.99 -32.37 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.59 -51.84 56.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.439 HG21 ' CB ' ' A' ' 38' ' ' VAL . 99.5 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 17' ' ' SER . 14.2 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.793 0.33 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 14' ' ' GLY . 67.1 mm-40 -103.12 167.27 9.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.507 ' N ' ' O ' ' A' ' 15' ' ' ASP . 44.3 t -83.03 124.55 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.621 ' O ' HG11 ' A' ' 73' ' ' VAL . 19.1 m -74.95 7.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 68.8 t -113.54 -51.97 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.2 p -117.49 -15.6 10.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.402 ' O ' ' OE1' ' A' ' 9' ' ' GLU . . . 97.68 -15.6 61.66 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 10' ' ' CYS . 15.2 t0 -53.38 141.39 24.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.444 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 1.2 tppp? -46.75 103.38 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 8' ' ' ILE . 14.4 t -54.72 148.5 12.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.2 t -92.33 -21.83 20.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 169.64 -171.17 43.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -86.3 78.66 9.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -87.77 133.45 33.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 54.62 37.54 28.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.74 24.55 71.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.437 ' HG3' HG21 ' A' ' 11' ' ' VAL . 8.9 tp60 -152.0 138.64 18.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.935 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -75.72 108.69 8.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.9 p -140.81 155.68 46.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 22.1 p -72.34 175.2 6.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -72.17 -26.79 62.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.69 -40.16 90.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.4 m -86.67 -35.91 19.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -44.37 -50.44 9.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.7 m -77.16 -45.09 27.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -49.93 -37.12 30.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.535 ' O ' HG23 ' A' ' 38' ' ' VAL . 54.8 t80 -70.31 -46.63 63.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 37' ' ' SER . 12.5 ttpt -69.47 -65.34 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -36.15 -30.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 35' ' ' LYS . 77.9 p -91.55 -43.31 9.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 34' ' ' PHE . 42.0 t -70.64 -59.2 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.433 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -54.28 -24.66 19.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.415 ' HB3' HD21 ' A' ' 42' ' ' LEU . 31.2 mtp85 -97.78 -19.12 18.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 69.67 34.21 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' A' ' 40' ' ' ARG . 20.0 mt -68.5 149.18 49.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.6 m -133.21 88.5 2.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.455 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 9.6 m-85 -69.37 175.48 3.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.7 m -137.87 106.38 5.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 36.1 t -70.12 106.88 3.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -67.11 -4.03 8.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.03 -171.03 1.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -79.3 24.29 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.404 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 67.0 mtp180 53.98 33.89 18.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -124.85 21.08 8.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.9 m -60.09 127.87 86.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.655 0.741 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 84.97 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.9 mm -64.5 91.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -132.09 154.51 49.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.423 ' CA ' ' OE1' ' A' ' 56' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 66' ' ' ARG . 13.8 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.78 0.324 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.455 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 81.6 mt-30 -57.67 -68.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.421 ' CD2' ' N ' ' A' ' 65' ' ' CYS . 28.3 t80 -49.12 -73.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.421 ' N ' ' CD2' ' A' ' 64' ' ' TYR . 65.2 m -37.92 -55.69 1.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.472 ' CB ' ' O ' ' A' ' 62' ' ' CYS . 1.5 tpt180 -49.91 -54.9 16.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.3 tp -53.06 -54.67 32.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm -51.16 -46.42 62.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.698 ' O ' HG13 ' A' ' 73' ' ' VAL . 2.6 ttmt -50.84 -22.49 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.502 ' O ' HG22 ' A' ' 73' ' ' VAL . 62.0 m -74.45 -56.29 5.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.1 mt -63.4 -19.09 64.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -82.28 -53.4 6.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 69' ' ' LYS . 35.8 m -55.57 -20.23 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 136.05 -37.31 1.91 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.461 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 74' ' ' GLY . 73.0 mtp -33.37 119.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.2 ptt85 -103.21 137.6 41.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 78' ' ' GLU . 36.5 mtt180 -63.73 -46.62 84.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' ARG . 2.0 pm0 -37.23 -42.79 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 80' ' ' VAL . . . -58.86 -53.21 60.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 79' ' ' ALA . 97.8 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.696 ' CD1' ' CE1' ' A' ' 25' ' ' PHE . 9.1 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.804 0.335 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.2 mp0 -107.83 165.32 11.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.799 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.6 t -79.14 124.17 28.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.673 ' O ' HG11 ' A' ' 73' ' ' VAL . 27.4 m -75.06 7.15 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.0 t -112.07 -55.7 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.6 p -112.14 -16.93 12.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 96.19 -6.32 66.16 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.512 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 10' ' ' CYS . 33.6 t70 -62.63 141.28 58.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.81 104.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 t -63.56 131.12 47.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 t -74.99 -22.37 58.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 165.79 163.98 20.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.481 ' HE2' ' CE2' ' A' ' 25' ' ' PHE . 6.2 tppt? -61.74 109.9 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -120.03 128.47 53.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 66.01 31.76 8.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.06 13.99 83.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.452 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -152.1 141.6 21.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.696 ' CE1' ' CD1' ' A' ' 8' ' ' ILE . 65.5 m-85 -74.52 112.13 10.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.519 HG21 ' SD ' ' A' ' 75' ' ' MET . 49.5 p -144.36 139.55 28.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.2 p -55.73 168.66 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.3 -19.94 63.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.57 -39.65 55.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 77.9 m -87.49 -31.08 20.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 0.0 110.923 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -55.05 -52.53 62.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.4 m -74.2 -42.98 58.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.46 ' HA ' ' NE ' ' A' ' 36' ' ' ARG . 28.4 t80 -59.23 -28.78 67.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.483 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 44.9 t80 -73.97 -46.03 46.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 37' ' ' SER . 51.5 tttt -68.94 -60.09 2.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.46 ' NE ' ' HA ' ' A' ' 33' ' ' PHE . 8.3 ptp180 -36.13 -28.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -96.58 -44.38 7.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.772 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.654 HG13 ' HE ' ' A' ' 77' ' ' ARG . 35.1 t -65.23 -62.68 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.421 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -54.59 -27.21 37.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.494 ' HB3' HD21 ' A' ' 42' ' ' LEU . 30.4 mtp180 -90.12 -14.0 34.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 m120 63.82 54.85 1.72 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 40' ' ' ARG . 13.1 mt -94.9 164.04 13.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.9 m -146.76 104.98 3.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.534 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 42.7 m-85 -83.97 144.75 28.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.0 m -108.21 89.09 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.169 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.537 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 41.9 t -43.57 116.14 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.44 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 3.2 tpm_? -78.72 14.66 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.417 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . . . -133.72 -172.51 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -79.38 41.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.522 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 62.7 mtm180 41.9 38.46 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -127.02 13.18 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 9.8 m -58.11 131.56 83.84 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.643 0.735 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 106.3 1.63 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.311 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.515 HD12 ' HB2' ' A' ' 66' ' ' ARG . 43.4 mm -95.62 82.74 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.0 p30 -115.34 166.14 12.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 48.6 t . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.797 0.332 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.534 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 16.7 mt-30 -92.46 -49.9 5.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.537 ' CD1' ' HB2' ' A' ' 46' ' ' CYS . 1.7 t80 -61.17 -55.99 25.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.423 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 51.6 m -51.17 -49.59 60.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.515 ' HB2' HD12 ' A' ' 54' ' ' ILE . 64.9 ttt180 -62.65 -65.35 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.808 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -45.56 -46.15 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.586 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.3 mmmp? -62.63 -49.8 73.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.434 ' O ' HG13 ' A' ' 73' ' ' VAL . 5.8 ttmt -38.87 -26.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 68' ' ' LYS . 75.0 m -67.45 -48.98 65.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.401 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 15.7 mt -69.31 -17.84 63.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -84.75 -56.42 3.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.673 HG11 ' O ' ' A' ' 11' ' ' VAL . 27.6 m -52.18 -41.49 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.422 ' N ' HG23 ' A' ' 73' ' ' VAL . . . 158.64 -31.5 0.47 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.448 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.519 ' SD ' HG21 ' A' ' 26' ' ' THR . 29.3 mtp -39.98 124.23 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -105.5 139.06 40.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.654 ' HE ' HG13 ' A' ' 38' ' ' VAL . 78.8 mtp180 -68.04 -36.18 79.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -57.28 -29.52 63.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.83 -27.25 61.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 81.7 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.6 mt . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.788 0.328 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -106.06 168.88 8.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 15' ' ' ASP . 47.8 t -83.97 127.84 34.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.703 ' O ' HG11 ' A' ' 73' ' ' VAL . 24.7 m -76.25 9.53 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 66.9 t -115.93 -55.1 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.422 ' HB2' ' CA ' ' A' ' 56' ' ' GLN . 28.9 p -114.6 -14.34 12.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.31 -17.77 58.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 10' ' ' CYS . 17.5 t70 -50.41 139.71 14.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -44.82 102.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.2 t -55.02 139.54 40.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 t -82.52 -23.04 34.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 165.94 -173.78 41.54 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -82.03 84.25 7.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -98.09 122.18 40.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.49 ' CE1' HG22 ' A' ' 80' ' ' VAL . 41.3 m-85 68.22 42.21 1.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.58 19.49 60.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -151.95 145.37 24.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -81.65 113.83 19.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.2 p -143.77 147.65 34.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.177 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.5 p -64.42 175.27 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -70.16 -30.44 67.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.87 -44.2 94.99 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 69.2 m -83.01 -37.21 24.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.934 0.397 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -46.01 -52.71 11.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.3 m -75.16 -45.1 42.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.416 ' CE2' ' HG2' ' A' ' 66' ' ' ARG . 82.5 t80 -52.23 -34.6 46.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.622 ' CD2' ' HE3' ' A' ' 75' ' ' MET . 57.9 t80 -69.53 -47.36 64.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 38' ' ' VAL . 28.3 tttt -69.33 -60.2 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.82 -26.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 35' ' ' LYS . 40.4 p -96.7 -30.57 13.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.547 HG13 ' HE ' ' A' ' 77' ' ' ARG . 6.2 t -83.76 -59.86 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.462 ' HG2' ' CG ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -55.56 -21.47 17.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.689 ' HB3' HD21 ' A' ' 42' ' ' LEU . 39.1 mtp180 -99.04 -13.4 19.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.5 m120 63.98 42.36 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 40' ' ' ARG . 11.2 mt -84.64 166.23 17.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.4 m -151.59 118.78 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.526 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 7.2 m-85 -100.5 154.47 18.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 45' ' ' THR . 3.0 t -106.22 119.15 38.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.522 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 27.5 t -69.82 114.91 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.0 mtm-85 -81.81 24.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.534 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . . . -146.9 -174.98 4.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -77.6 41.76 0.34 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 42.24 38.36 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.817 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.431 ' C ' ' OD1' ' A' ' 51' ' ' ASN . 9.6 p30 -128.55 13.53 6.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.534 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 4.5 m -58.54 133.29 85.65 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.734 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 103.33 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.504 HD12 ' HB2' ' A' ' 66' ' ' ARG . 34.4 mm -92.2 81.46 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -113.55 -179.63 3.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.422 ' CA ' ' HB2' ' A' ' 13' ' ' CYS . 25.4 tp60 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 46.0 t . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.777 0.322 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.526 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 19.8 mt-30 -86.3 -53.71 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.522 ' CD1' ' HB2' ' A' ' 46' ' ' CYS . 3.9 t80 -56.59 -59.25 5.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.415 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 41.6 m -47.4 -49.88 23.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.504 ' HB2' HD12 ' A' ' 54' ' ' ILE . 57.7 ttt180 -62.01 -64.8 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.874 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -46.18 -39.87 10.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.658 ' N ' HD13 ' A' ' 67' ' ' LEU . 20.5 mmtp -69.57 -50.55 43.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.476 ' O ' HG13 ' A' ' 73' ' ' VAL . 4.5 ttmt -38.05 -28.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.469 ' N ' ' O ' ' A' ' 68' ' ' LYS . 59.2 m -66.26 -51.77 54.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.8 mt -67.17 -14.99 63.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.01 -53.54 4.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.703 HG11 ' O ' ' A' ' 11' ' ' VAL . 27.7 m -54.22 -39.08 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 155.93 -35.07 0.62 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.622 ' HE3' ' CD2' ' A' ' 34' ' ' PHE . 39.3 mmm -33.62 135.69 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.74 0.305 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -114.74 134.25 55.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.547 ' HE ' HG13 ' A' ' 38' ' ' VAL . 72.0 mtp180 -68.06 -43.35 78.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -42.82 -45.03 4.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.48 -46.96 76.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.49 HG22 ' CE1' ' A' ' 22' ' ' TYR . 59.3 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.499 ' CD1' ' CE1' ' A' ' 25' ' ' PHE . 51.4 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.783 0.325 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.409 ' N ' HG22 ' A' ' 8' ' ' ILE . 20.3 mp0 -109.86 160.49 16.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.509 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.7 t -77.33 121.34 23.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.471 ' O ' HG11 ' A' ' 73' ' ' VAL . 29.4 m -70.55 3.04 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.408 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 93.4 t -108.51 -53.35 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 56' ' ' GLN . 29.0 p -116.63 -13.43 10.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 10' ' ' CYS . . . 95.55 -16.33 61.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 10' ' ' CYS . 47.0 t0 -51.41 138.0 22.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.875 0.369 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -42.92 97.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.2 t -47.23 139.54 6.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.407 ' HB3' ' CD ' ' A' ' 28' ' ' GLU . 59.8 p -90.59 22.5 3.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.43 178.42 19.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.581 ' HE3' ' CD1' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -66.55 113.17 4.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.428 ' NE2' ' HD3' ' A' ' 31' ' ' LYS . 5.0 m-70 -125.01 126.02 44.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.53 ' CE1' HG22 ' A' ' 80' ' ' VAL . 39.3 m-85 57.95 32.84 22.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.87 14.72 82.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.407 ' HA ' ' HZ3' ' A' ' 20' ' ' LYS . 27.9 tp60 -152.02 137.4 17.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.581 ' CD1' ' HE3' ' A' ' 20' ' ' LYS . 39.1 m-85 -68.35 116.45 8.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -147.56 149.07 31.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.141 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.6 p -65.67 177.0 1.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' CD ' ' HB3' ' A' ' 18' ' ' SER . 25.0 mp0 -75.52 -25.35 57.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.47 -41.3 90.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 79.6 m -85.25 -39.63 17.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.903 0.382 . . . . 0.0 110.912 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.428 ' HD3' ' NE2' ' A' ' 21' ' ' HIS . 8.4 ttpp -44.83 -46.3 10.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.7 t -80.35 -45.29 18.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.546 ' CE2' ' HG2' ' A' ' 66' ' ' ARG . 72.4 t80 -54.48 -28.72 46.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.639 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 43.9 t80 -74.58 -52.68 11.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 37' ' ' SER . 7.8 ttmt -60.99 -63.04 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 35' ' ' LYS . 5.3 ptp180 -34.75 -31.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 35' ' ' LYS . 74.5 p -93.75 -39.83 10.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.695 HG13 ' HE ' ' A' ' 77' ' ' ARG . 40.5 t -70.23 -61.74 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.087 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.461 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -54.23 -28.4 41.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.6 mtp85 -91.33 -20.9 21.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 68.59 43.74 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 37' ' ' SER . 14.0 mt -81.9 175.63 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.0 m -160.83 105.56 1.39 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -90.66 142.19 28.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.2 m -100.74 99.26 9.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.8 t -59.61 109.16 0.85 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 39.4 tpt85 -61.65 -15.55 40.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.96 -172.04 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -79.36 34.54 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.446 ' NH1' ' HB2' ' A' ' 50' ' ' ARG . 12.3 mtp-105 42.08 39.7 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -131.94 14.98 4.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.6 m -52.65 133.17 46.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.649 0.737 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 87.87 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.364 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.438 HD12 ' HB2' ' A' ' 66' ' ' ARG . 26.1 mm -74.4 105.03 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -139.55 -177.46 4.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 43.2 t . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.762 0.315 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -68.79 -61.04 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.542 ' CZ ' ' HG3' ' A' ' 68' ' ' LYS . 42.2 t80 -53.12 -71.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' TYR . 58.0 m -36.82 -57.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.546 ' HG2' ' CE2' ' A' ' 33' ' ' PHE . 34.9 ttt180 -53.74 -49.85 67.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.805 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -55.95 -50.3 71.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.657 ' N ' HD13 ' A' ' 67' ' ' LEU . 53.2 mmtt -58.96 -50.52 73.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.427 ' O ' HG22 ' A' ' 73' ' ' VAL . 6.0 ttmt -37.53 -27.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 68' ' ' LYS . 82.0 m -67.23 -52.01 46.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.471 HD21 ' CG ' ' A' ' 77' ' ' ARG . 20.9 mt -68.15 -12.74 61.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 7.9 tmtm? -89.94 -56.64 3.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.471 HG11 ' O ' ' A' ' 11' ' ' VAL . 30.5 m -52.83 -38.15 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 152.14 -30.56 0.89 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 74' ' ' GLY . 63.4 mtp -35.72 122.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 79' ' ' ALA . 15.7 ptt85 -100.89 135.1 42.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.695 ' HE ' HG13 ' A' ' 38' ' ' VAL . 69.7 mtp180 -69.47 -44.62 70.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -41.62 -36.2 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 76' ' ' ARG . . . -63.07 -53.66 50.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.53 HG22 ' CE1' ' A' ' 22' ' ' TYR . 92.7 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.0 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.868 0.366 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -110.37 164.11 13.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 15' ' ' ASP . 41.9 t -81.74 121.23 26.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 25' ' ' PHE . 30.4 m -70.24 2.0 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.424 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 57.3 t -106.33 -57.8 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.5 p -112.4 -15.39 13.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 98.2 -15.7 61.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 10' ' ' CYS . 23.2 t70 -51.81 141.02 18.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.895 0.379 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -45.81 99.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.2 t -54.28 137.74 40.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.7 p -80.06 -24.34 40.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 169.87 -169.11 41.9 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HE2' ' CE2' ' A' ' 25' ' ' PHE . 7.0 ttmm -86.78 85.95 7.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.788 0.328 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -96.52 132.08 42.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.442 ' CE1' HG22 ' A' ' 80' ' ' VAL . 30.8 m-85 58.42 41.21 23.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.05 19.77 64.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -152.24 144.3 23.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.945 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.455 ' O ' HG22 ' A' ' 11' ' ' VAL . 58.2 m-85 -79.88 116.29 19.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.437 HG21 ' SD ' ' A' ' 75' ' ' MET . 25.5 p -150.47 139.81 21.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.0 p -55.79 168.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -65.97 -29.0 69.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.66 -44.74 95.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 76.1 m -83.34 -32.34 26.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.476 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -53.88 -50.39 66.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.476 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 47.9 t -76.2 -37.83 57.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -61.64 -33.88 74.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.602 ' O ' HG23 ' A' ' 38' ' ' VAL . 41.3 t80 -70.69 -42.83 70.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 37' ' ' SER . 18.8 tttm -67.47 -65.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' A' ' 37' ' ' SER . 7.0 ptm180 -35.01 -30.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 35' ' ' LYS . 10.1 p -89.16 -47.62 7.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 34' ' ' PHE . 85.8 t -68.04 -62.47 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.442 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -48.42 -28.65 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.481 ' HB3' HD21 ' A' ' 42' ' ' LEU . 44.7 mtp180 -93.53 -21.79 19.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.4 t30 73.83 33.1 1.03 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.481 HD21 ' HB3' ' A' ' 40' ' ' ARG . 15.2 mt -72.81 171.45 12.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.2 m -158.75 105.94 1.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.411 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 2.4 m-85 -90.77 150.37 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.0 t -108.22 131.12 55.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.165 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.1 t -97.02 91.23 5.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -50.2 -17.78 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.27 -173.19 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -82.11 33.36 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.8 mtm180 41.35 43.16 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.494 ' O ' ' CG ' ' A' ' 51' ' ' ASN . 0.2 OUTLIER -118.76 1.83 11.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.5 m -45.28 119.3 4.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.634 0.73 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 83.84 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.309 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.599 HD12 ' HB2' ' A' ' 66' ' ' ARG . 38.2 mm -62.04 97.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -131.92 163.06 29.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 -179.893 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 53.9 t . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.793 0.33 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.411 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 12.7 mt-30 -89.81 -54.01 4.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -61.56 -59.57 5.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.403 ' HB2' HD11 ' A' ' 54' ' ' ILE . 88.9 m -49.87 -50.53 45.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.599 ' HB2' HD12 ' A' ' 54' ' ' ILE . 53.4 ttt180 -61.37 -58.13 9.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.7 ' C ' HD13 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -49.59 -45.39 47.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.627 ' N ' HD13 ' A' ' 67' ' ' LEU . 2.9 mmmm -64.16 -49.55 71.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' LYS . 3.1 ttmt -37.08 -28.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 68' ' ' LYS . 79.4 m -66.78 -49.27 66.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.489 HD11 ' NH2' ' A' ' 77' ' ' ARG . 20.8 mt -69.4 -12.28 61.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -90.05 -56.98 3.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.447 ' CG2' ' HG3' ' A' ' 75' ' ' MET . 29.1 m -54.65 -33.64 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 150.15 -34.42 1.01 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.447 ' HG3' ' CG2' ' A' ' 73' ' ' VAL . 46.6 mtp -34.82 110.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.776 0.322 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -95.56 135.4 37.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.489 ' NH2' HD11 ' A' ' 71' ' ' LEU . 59.1 mtt180 -65.82 -44.18 86.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -41.79 -34.29 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.15 -52.33 42.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.074 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.442 HG22 ' CE1' ' A' ' 22' ' ' TYR . 80.7 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.8 mt . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.796 0.331 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -109.02 165.26 11.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.7 t -84.37 123.27 30.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.419 ' O ' HG11 ' A' ' 73' ' ' VAL . 30.6 m -72.25 4.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.5 t -110.34 -54.5 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.3 p -116.55 -12.93 10.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 97.05 -21.99 43.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 10' ' ' CYS . 31.2 t70 -45.33 139.45 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.926 0.394 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -46.15 102.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.3 t -54.24 144.98 18.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.9 t -89.73 -12.76 38.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 157.32 -170.49 34.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.487 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 16.9 ttmt -84.85 78.65 9.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.33 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -88.46 135.53 33.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.796 ' CE1' HG22 ' A' ' 80' ' ' VAL . 25.2 m-85 55.17 34.69 23.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.76 22.37 76.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -152.05 144.81 24.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.909 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.512 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 46.4 m-85 -79.37 110.9 15.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.6 p -143.86 160.28 41.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.9 p -76.08 177.54 7.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -73.82 -28.61 61.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.27 -40.5 94.75 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 76.4 m -86.24 -37.26 18.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -47.39 -53.59 13.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.0 t -75.29 -46.18 35.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.542 ' CE2' ' HD3' ' A' ' 66' ' ' ARG . 61.8 t80 -50.12 -33.2 18.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.745 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 43.5 t80 -74.92 -46.95 32.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.3 ttpm? -64.47 -63.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' LYS . 2.5 ptm180 -38.03 -26.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 35' ' ' LYS . 65.4 p -98.28 -39.35 8.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.745 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 73.0 t -73.94 -57.35 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.473 ' HB3' HG12 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -58.95 -23.87 61.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.416 ' C ' ' OD1' ' A' ' 41' ' ' ASN . 28.8 mtt180 -97.24 -20.55 17.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.416 ' OD1' ' C ' ' A' ' 40' ' ' ARG . 1.1 m120 68.69 54.81 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 37' ' ' SER . 13.4 mt -94.62 177.09 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.3 m -154.23 115.82 4.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -94.96 135.44 36.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 46' ' ' CYS . 21.4 m -98.54 87.59 3.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.508 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 45.4 t -37.83 114.4 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -77.86 11.07 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -129.24 -172.71 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.449 ' O ' ' CG ' ' A' ' 51' ' ' ASN . 17.6 m-80 -79.55 39.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.466 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 67.0 mtp180 40.63 37.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 49' ' ' ASN . 13.4 m120 -124.68 13.15 8.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.9 m -59.1 127.31 83.68 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.637 0.732 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 89.39 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.73 2.287 . . . . 0.0 112.314 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.736 HD12 ' HB2' ' A' ' 66' ' ' ARG . 50.0 mm -71.38 98.75 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -147.06 160.63 42.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.422 ' OE1' ' O ' ' A' ' 56' ' ' GLN . 2.3 tp-100 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.4 ' HB3' HD11 ' A' ' 54' ' ' ILE . 35.4 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.793 0.33 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -87.52 -47.83 8.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.508 ' CD2' ' HB2' ' A' ' 46' ' ' CYS . 7.2 t80 -66.45 -66.86 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.48 ' N ' ' CD2' ' A' ' 64' ' ' TYR . 81.8 m -40.96 -45.38 2.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.736 ' HB2' HD12 ' A' ' 54' ' ' ILE . 13.8 ttt180 -68.89 -45.1 71.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.78 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -57.75 -48.56 79.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.539 ' N ' HD13 ' A' ' 67' ' ' LEU . 13.4 mmmm -63.19 -50.92 68.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -38.44 -26.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 68' ' ' LYS . 77.6 m -68.77 -48.36 63.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' LYS . 31.4 mt -69.51 -13.9 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.41 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 1.7 tmtp? -87.66 -58.13 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.436 ' CG2' ' HG3' ' A' ' 75' ' ' MET . 28.5 m -50.83 -37.56 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 152.41 -33.42 0.84 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.436 ' HG3' ' CG2' ' A' ' 73' ' ' VAL . 47.2 mtp -35.67 111.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.721 0.296 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -96.56 131.4 43.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.0 mtm180 -57.49 -47.47 81.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -41.25 -40.24 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.33 -50.1 74.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.063 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.796 HG22 ' CE1' ' A' ' 22' ' ' TYR . 55.4 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.596 HD13 ' CE1' ' A' ' 25' ' ' PHE . 39.3 mt . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.744 0.307 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -111.99 166.86 10.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.2 t -81.37 120.61 25.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.457 ' O ' HG11 ' A' ' 73' ' ' VAL . 28.0 m -69.66 1.81 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.413 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 49.7 t -106.11 -55.15 5.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.7 p -112.76 -17.75 12.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 10' ' ' CYS . . . 97.18 -7.01 64.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.473 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 10' ' ' CYS . 21.5 t70 -64.01 139.85 58.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.9 0.381 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.83 104.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.8 t -61.95 141.85 57.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.0 t -82.67 -25.19 33.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.71 167.84 31.64 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 9.9 ttmm -70.71 79.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.506 ' N ' ' O ' ' A' ' 24' ' ' GLN . 0.7 OUTLIER -90.01 136.2 33.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 179.858 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 58.9 46.45 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.19 16.08 47.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 21' ' ' HIS . 25.7 tp60 -149.88 155.24 39.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.596 ' CE1' HD13 ' A' ' 8' ' ' ILE . 38.2 m-85 -89.83 115.65 27.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.879 HG21 ' SD ' ' A' ' 75' ' ' MET . 80.2 p -140.49 151.84 45.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.5 p -73.07 176.44 5.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -73.15 -18.68 61.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.58 -39.16 30.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.464 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 72.3 m -90.3 -37.74 13.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.919 0.39 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -42.47 -45.41 4.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 93.1 p -82.21 -45.47 15.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.41 ' CB ' HH21 ' A' ' 66' ' ' ARG . 62.1 t80 -49.94 -35.09 22.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.827 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.9 ' O ' HG23 ' A' ' 38' ' ' VAL . 53.0 t80 -72.78 -45.89 56.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 36' ' ' ARG . 14.3 ttpt -68.04 -64.29 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.4 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 4.2 ptp180 -39.46 -30.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.7 p -89.15 -41.26 12.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 34' ' ' PHE . 85.2 t -72.9 -60.19 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.495 ' HG3' ' N ' ' A' ' 40' ' ' ARG . 2.0 ptp180 -50.12 -33.98 20.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.495 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 26.7 mtp180 -91.39 -18.08 24.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.831 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.1 m120 67.64 36.13 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.8 mt -67.36 172.64 4.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.5 m -153.46 109.3 3.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.534 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 4.7 m-85 -96.05 155.78 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 45' ' ' THR . 1.9 t -109.37 121.16 44.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.185 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 44.2 t -73.18 117.73 15.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.807 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.2 mtt85 -80.75 19.58 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.594 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . . . -141.64 -174.97 4.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -78.07 42.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 43.61 32.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -124.08 14.98 9.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.594 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 6.3 m -56.26 128.68 73.27 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.647 0.737 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 89.24 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.343 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.423 HD12 ' HB2' ' A' ' 66' ' ' ARG . 42.3 mm -71.35 109.19 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -133.85 177.78 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.929 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 52.4 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.726 0.298 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.534 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 36.1 mt-30 -86.1 -57.5 3.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.509 ' CZ ' ' HG3' ' A' ' 68' ' ' LYS . 18.7 t80 -56.82 -61.5 2.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 57.7 m -47.51 -57.17 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.423 ' HB2' HD12 ' A' ' 54' ' ' ILE . 40.7 ttt180 -49.93 -50.0 47.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.416 ' HG ' ' N ' ' A' ' 68' ' ' LYS . 1.5 tp -58.09 -57.94 10.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.509 ' HG3' ' CZ ' ' A' ' 64' ' ' TYR . 25.2 mmmt -49.77 -49.78 47.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.465 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.6 OUTLIER -39.3 -25.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.483 ' N ' ' O ' ' A' ' 68' ' ' LYS . 56.2 m -75.73 -48.87 20.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' LYS . 39.0 mt -67.58 -9.79 46.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -95.98 -58.28 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 69' ' ' LYS . 24.1 m -48.08 -36.11 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 151.75 -26.1 0.94 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.879 ' SD ' HG21 ' A' ' 26' ' ' THR . 69.0 mtp -50.1 116.99 2.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.747 0.308 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.44 ' HB2' ' CD ' ' A' ' 78' ' ' GLU . 26.6 ptt180 -98.57 160.07 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.496 ' HE ' HG13 ' A' ' 38' ' ' VAL . 40.4 mtp180 -83.49 -47.46 11.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.44 ' CD ' ' HB2' ' A' ' 76' ' ' ARG . 17.0 pm0 -42.58 -28.97 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.54 -51.28 52.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.3 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.537 HD13 ' CE1' ' A' ' 25' ' ' PHE . 18.1 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.728 0.299 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -104.03 168.27 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 15' ' ' ASP . 49.7 t -84.01 127.16 33.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.65 ' O ' HG11 ' A' ' 73' ' ' VAL . 15.9 m -75.83 9.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.4 t -115.53 -57.65 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.6 p -110.33 -16.45 13.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.92 -14.59 62.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.52 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 10' ' ' CYS . 36.8 t0 -55.67 141.82 36.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.919 0.39 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.91 104.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 8' ' ' ILE . 13.6 t -51.48 143.54 11.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.0 p -101.39 29.69 4.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.98 176.59 15.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -89.0 79.34 7.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.793 0.33 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -90.92 128.56 36.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.826 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.529 ' CE1' HG22 ' A' ' 80' ' ' VAL . 25.4 m-85 67.63 38.62 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.02 22.51 62.68 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.507 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.452 ' HG3' HG21 ' A' ' 11' ' ' VAL . 4.8 tp-100 -151.48 142.32 22.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.934 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.537 ' CE1' HD13 ' A' ' 8' ' ' ILE . 19.1 m-85 -77.65 105.94 9.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.648 HG21 ' SD ' ' A' ' 75' ' ' MET . 34.2 p -137.64 150.96 47.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.3 p -69.98 170.68 10.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -65.81 -35.13 79.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.39 -38.86 96.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 75.0 m -87.87 -39.0 15.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.361 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -44.26 -50.87 8.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.1 t -77.7 -47.93 17.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.8 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -47.49 -36.91 10.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.779 ' O ' HG23 ' A' ' 38' ' ' VAL . 64.5 t80 -70.49 -50.42 38.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 38' ' ' VAL . 14.8 ttpt -62.97 -62.65 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' LYS . 8.3 ptm180 -37.93 -28.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 35' ' ' LYS . 59.9 p -94.93 -35.16 12.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 34' ' ' PHE . 94.9 t -77.42 -67.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.406 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -47.82 -27.42 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.489 ' HB3' HD21 ' A' ' 42' ' ' LEU . 47.8 mtt180 -93.26 -20.47 20.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' VAL . 1.5 t30 70.64 32.31 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 40' ' ' ARG . 17.7 mt -66.92 169.99 7.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.8 m -151.88 109.99 3.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -93.82 149.29 21.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.0 m -112.65 97.88 6.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.137 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.4 t -58.89 106.11 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -62.54 -8.02 5.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.95 -173.46 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -80.95 35.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 46.7 mtt-85 44.67 39.57 3.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 51.9 p30 -130.04 17.11 5.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.5 m -60.96 132.73 92.21 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 103.45 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.682 2.255 . . . . 0.0 112.358 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 25.5 mm -85.04 115.86 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.168 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.6 p30 -150.84 171.69 16.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.894 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 49.3 t . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.809 0.337 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -84.8 -60.63 2.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.53 ' CD1' ' N ' ' A' ' 65' ' ' CYS . 2.4 t80 -54.02 -63.66 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.53 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 64.2 m -43.78 -61.12 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -49.03 -47.88 44.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.0 tp -57.41 -56.84 16.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -48.47 -47.38 38.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.529 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.3 ttmt -45.02 -24.99 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.0 m -73.04 -53.43 11.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.5 mt -64.56 -11.83 38.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 73' ' ' VAL . 0.6 OUTLIER -93.04 -59.62 2.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.65 HG11 ' O ' ' A' ' 11' ' ' VAL . 24.1 m -44.96 -31.86 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 147.58 -30.27 1.42 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.648 ' SD ' HG21 ' A' ' 26' ' ' THR . 74.2 mtp -41.85 117.66 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 110.848 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -102.0 144.43 30.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 78' ' ' GLU . 89.9 mtm-85 -70.68 -48.03 56.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 77' ' ' ARG . 10.8 pt-20 -34.62 -44.65 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 78' ' ' GLU . . . -60.55 -53.45 57.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.529 HG22 ' CE1' ' A' ' 22' ' ' TYR . 61.7 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.497 HG21 ' CG ' ' A' ' 25' ' ' PHE . 6.9 mt . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.774 0.321 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.7 170.0 8.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 15' ' ' ASP . 43.6 t -80.62 125.47 30.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.716 ' O ' HG11 ' A' ' 73' ' ' VAL . 16.7 m -75.11 7.69 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.7 t -113.66 -53.39 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 56' ' ' GLN . 26.6 p -113.58 -17.32 12.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 95.49 -4.39 66.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.451 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 10' ' ' CYS . 21.8 t70 -66.62 139.93 57.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -41.02 107.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 t -60.9 149.02 37.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.0 p -100.9 15.84 27.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.28 172.29 13.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -73.86 76.76 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -83.82 118.9 24.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.483 ' CD2' ' HE3' ' A' ' 75' ' ' MET . 30.5 m-85 70.09 40.28 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.69 15.42 64.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -146.13 148.57 32.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.941 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.497 ' CG ' HG21 ' A' ' 8' ' ' ILE . 36.8 m-85 -83.26 104.89 13.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.1 p -138.1 154.06 49.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.6 p -71.39 173.32 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -69.37 -30.65 68.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.56 -45.33 96.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 61.3 m -83.74 -37.4 22.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.929 0.395 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -45.1 -55.44 5.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -71.44 -42.98 67.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.436 ' CE2' ' HG2' ' A' ' 66' ' ' ARG . 74.1 t80 -52.97 -35.27 58.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.56 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 42.5 t80 -70.19 -47.01 63.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.561 ' HG2' ' N ' ' A' ' 36' ' ' ARG . 11.4 ttmt -65.0 -67.87 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.561 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 5.8 ptm180 -34.99 -31.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.817 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 35' ' ' LYS . 35.5 p -89.9 -41.97 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.56 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 28.8 t -70.56 -57.4 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.492 ' HG3' ' N ' ' A' ' 40' ' ' ARG . 1.3 ptp180 -54.02 -33.28 56.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.492 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 26.0 mtp180 -90.79 -19.13 23.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 m120 69.21 38.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.6 mt -72.71 167.92 19.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 89.9 m -152.13 111.04 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -99.72 158.14 15.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.0 t -113.48 140.09 48.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.511 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 11.1 t -105.24 97.38 7.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -51.93 -16.61 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.511 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . . . -88.24 -172.41 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -79.57 23.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.43 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 80.7 mtt85 53.88 39.54 30.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -130.46 20.23 5.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.3 m -59.63 128.17 85.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.626 0.726 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 90.52 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.246 . . . . 0.0 112.354 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.2 mm -71.96 93.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 8.0 t0 -114.26 -173.74 2.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 13' ' ' CYS . 27.5 tp60 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.7 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.769 0.318 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -56.07 -68.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.536 ' CZ ' ' HG3' ' A' ' 68' ' ' LYS . 18.5 t80 -47.55 -72.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.528 ' N ' ' CD2' ' A' ' 64' ' ' TYR . 36.3 m -36.45 -50.16 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.436 ' HG2' ' CE2' ' A' ' 33' ' ' PHE . 27.0 ttt180 -59.13 -63.48 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.777 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -46.6 -51.81 14.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.65 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.3 mmmp? -58.86 -51.87 68.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -37.03 -28.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 68' ' ' LYS . 70.8 m -65.17 -53.27 47.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.471 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 11.9 mt -66.17 -9.97 36.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -94.11 -56.97 2.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.716 HG11 ' O ' ' A' ' 11' ' ' VAL . 26.6 m -52.72 -35.34 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 150.32 -29.79 1.08 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.521 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.504 ' HE3' ' CD2' ' A' ' 34' ' ' PHE . 33.1 mmm -41.47 132.15 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.82 0.343 . . . . 0.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -109.31 148.12 31.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.471 ' HG3' ' CD2' ' A' ' 71' ' ' LEU . 43.3 mtp180 -79.77 -38.05 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -50.68 -30.44 13.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.63 -50.74 48.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.43 HG21 ' HB ' ' A' ' 38' ' ' VAL . 80.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.6 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.776 0.322 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -111.76 163.97 13.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.5 t -79.04 125.32 29.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.489 ' O ' HG11 ' A' ' 73' ' ' VAL . 22.1 m -75.01 6.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.643 HG11 ' NE ' ' A' ' 66' ' ' ARG . 83.0 t -112.29 -54.32 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.438 ' HB2' ' CA ' ' A' ' 56' ' ' GLN . 29.0 p -115.96 -14.1 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 96.72 -15.6 62.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 10' ' ' CYS . 36.6 t0 -50.48 140.06 14.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.366 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -47.89 107.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.3 t -63.58 143.1 58.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.4 p -89.41 -14.23 35.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 161.14 -177.24 37.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.414 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 5.3 ttmm -77.28 95.48 4.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -104.26 124.36 49.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 62.36 44.69 7.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.69 19.01 57.78 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.53 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -151.73 141.51 21.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.341 . . . . 0.0 110.932 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.414 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 38.7 m-85 -76.97 107.66 9.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.617 HG21 ' SD ' ' A' ' 75' ' ' MET . 27.6 p -140.37 146.13 38.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.4 p -64.22 164.53 10.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -63.5 -30.24 71.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.96 -35.95 91.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.42 ' HB3' ' NH2' ' A' ' 66' ' ' ARG . 83.0 m -88.02 -39.11 14.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -48.37 -47.71 37.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 85.3 p -72.38 -54.22 10.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.575 ' CE1' ' HG3' ' A' ' 66' ' ' ARG . 3.6 t80 -46.27 -37.07 6.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.734 ' O ' HG23 ' A' ' 38' ' ' VAL . 42.8 t80 -67.26 -50.52 60.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 37' ' ' SER . 18.2 ttpt -60.94 -63.9 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' LYS . 13.6 ptt180 -36.95 -28.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 35' ' ' LYS . 95.9 p -96.71 -35.53 10.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 34' ' ' PHE . 73.4 t -75.02 -56.01 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.423 ' HD3' ' C ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -60.49 -24.85 65.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.401 ' HG2' ' HD3' ' A' ' 39' ' ' ARG . 42.8 mtt180 -97.56 -18.13 19.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.1 m120 65.39 53.79 1.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.1 mt -93.19 143.2 26.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.1 m -126.09 86.96 2.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.523 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 20.6 m-85 -60.75 149.62 35.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.4 m -105.35 99.65 9.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.162 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.5 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 51.0 t -59.08 110.29 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.01 19.35 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.406 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . . . -133.26 -171.83 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 51' ' ' ASN . 6.1 m120 -79.09 40.76 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.498 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 43.9 mtm180 37.56 30.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.4 p-10 -120.41 14.28 11.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 6.4 m -58.04 129.99 82.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.588 0.709 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 112.54 3.11 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.359 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.487 HD12 ' HB2' ' A' ' 66' ' ' ARG . 38.3 mm -96.55 99.31 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -132.35 -178.05 4.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.438 ' CA ' ' HB2' ' A' ' 13' ' ' CYS . 23.2 tp60 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.3 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.814 0.34 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.523 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 77.0 mt-30 -76.8 -62.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.566 ' CD1' ' N ' ' A' ' 65' ' ' CYS . 2.9 t80 -52.88 -66.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.566 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 39.9 m -38.88 -48.26 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.643 ' NE ' HG11 ' A' ' 12' ' ' VAL . 2.6 tpt180 -64.15 -64.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.85 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -43.17 -39.67 2.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.643 ' N ' HD13 ' A' ' 67' ' ' LEU . 49.0 mmtt -71.72 -40.32 69.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.499 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -52.83 -24.19 8.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.841 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.445 ' O ' HG22 ' A' ' 73' ' ' VAL . 86.3 m -67.96 -52.92 30.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.11 -25.99 68.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 7.5 tmtt? -75.48 -55.78 5.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 69' ' ' LYS . 27.3 m -53.78 -26.34 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 139.8 -35.1 1.96 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.617 ' SD ' HG21 ' A' ' 26' ' ' THR . 59.3 mtp -36.58 117.88 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.738 0.304 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 76' ' ' ARG . 4.7 ptp180 -99.66 137.11 38.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -61.18 -50.09 74.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -40.72 -35.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.95 -50.04 75.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.533 HG21 ' HB ' ' A' ' 38' ' ' VAL . 70.6 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.166 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.536 HG22 ' N ' ' A' ' 9' ' ' GLU . 11.0 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.803 0.335 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.536 ' N ' HG22 ' A' ' 8' ' ' ILE . 1.7 pt-20 -122.89 168.82 11.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 15' ' ' ASP . 47.3 t -84.01 120.18 25.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.4 m -70.46 2.52 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.8 t -106.67 -50.9 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.7 p -117.3 -16.99 10.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 10' ' ' CYS . . . 95.41 -7.05 68.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.517 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 10' ' ' CYS . 25.7 t0 -63.46 139.49 58.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.27 107.44 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.4 t -63.54 146.48 53.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.0 t -88.77 -16.31 32.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.44 -179.72 39.06 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.456 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.542 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 15.7 ttmt -78.37 84.25 4.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.758 0.313 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -92.36 116.6 29.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 68.19 47.66 0.99 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.19 19.34 51.71 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -151.98 143.19 23.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.954 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.542 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 68.5 m-85 -82.79 111.78 19.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.8 p -142.33 138.48 31.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.8 p -53.49 174.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -73.78 -25.23 60.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.07 -40.46 93.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 59.6 m -89.77 -28.44 19.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.453 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -55.35 -45.02 76.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.453 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 2.6 m -81.78 -29.8 32.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.542 ' CE2' ' HD3' ' A' ' 66' ' ' ARG . 92.6 t80 -66.2 -34.69 78.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.848 ' O ' HG23 ' A' ' 38' ' ' VAL . 43.5 t80 -72.14 -43.15 65.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.436 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 36.8 tttt -67.44 -64.06 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.439 ' HB2' ' NH1' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -45.11 -22.47 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.822 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.5 p -94.2 -40.03 10.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.828 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 34' ' ' PHE . 95.2 t -78.17 -57.89 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.438 ' HB2' ' NH1' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -52.55 -29.72 26.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.5 ' HB3' HD21 ' A' ' 42' ' ' LEU . 30.6 mtp85 -95.55 -21.07 18.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 74.68 32.09 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 40' ' ' ARG . 12.7 mt -69.32 141.82 54.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.1 m -130.9 87.54 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.193 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -69.17 153.88 42.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.2 m -106.06 133.8 50.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 50.0 t -99.08 94.61 6.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -11.43 2.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.85 -173.84 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -82.58 34.53 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.475 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 64.7 mtm180 43.55 34.74 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -120.98 16.82 11.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.6 m -60.32 123.94 75.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.67 0.748 . . . . 0.0 110.81 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 85.3 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.34 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.55 HD12 ' HB2' ' A' ' 66' ' ' ARG . 24.8 mm -65.39 111.55 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -139.63 178.84 6.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.911 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 49.6 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.842 0.353 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -99.41 -56.44 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.475 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -61.06 -54.88 39.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.963 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.443 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 56.5 m -51.01 -54.02 28.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.55 ' HB2' HD12 ' A' ' 54' ' ' ILE . 44.5 ttt180 -57.87 -51.29 70.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.836 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -55.01 -44.04 74.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.61 ' N ' HD13 ' A' ' 67' ' ' LEU . 32.4 mmtt -66.55 -49.98 64.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -39.27 -25.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 68' ' ' LYS . 76.1 m -69.41 -49.68 52.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 mt -70.8 -8.89 55.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 73' ' ' VAL . 10.4 tmtt? -91.04 -54.22 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.439 ' CG2' ' HG3' ' A' ' 75' ' ' MET . 30.4 m -54.7 -38.28 42.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 153.69 -29.61 0.75 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.439 ' HG3' ' CG2' ' A' ' 73' ' ' VAL . 44.2 mtp -37.19 121.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.732 0.301 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -102.13 138.64 38.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.447 ' HD2' HG13 ' A' ' 38' ' ' VAL . 47.3 mtm180 -70.43 -41.83 72.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -43.25 -36.31 1.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.16 -47.68 73.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.7 mt . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.787 0.327 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -108.58 161.5 15.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.1 t -76.61 120.42 21.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.4 m -69.72 2.22 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.411 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 47.6 t -106.6 -56.92 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.439 ' HB2' ' C ' ' A' ' 55' ' ' ASP . 28.4 p -113.25 -15.05 12.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 98.12 -17.32 58.83 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.456 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 10' ' ' CYS . 27.6 t70 -50.41 139.3 15.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -46.72 103.99 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.1 t -56.43 146.42 24.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.823 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.7 t -91.93 -13.14 31.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.87 -171.43 36.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.548 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 20.2 ttmt -86.06 84.25 7.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.339 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -96.61 124.71 40.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.598 ' CE1' HG22 ' A' ' 80' ' ' VAL . 31.9 m-85 67.08 37.4 3.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.83 16.03 65.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.495 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -146.53 146.38 30.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.888 0.375 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.548 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 40.9 m-85 -82.11 108.35 15.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.421 HG21 ' SD ' ' A' ' 75' ' ' MET . 40.4 p -139.91 158.76 43.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.7 p -74.9 165.8 24.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -63.44 -26.17 68.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.97 -42.45 85.3 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.8 m -85.62 -32.01 22.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.946 0.403 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -51.34 -54.17 28.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t -72.51 -46.54 54.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -49.57 -35.77 21.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.855 ' O ' HG23 ' A' ' 38' ' ' VAL . 53.5 t80 -71.93 -46.47 57.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 38' ' ' VAL . 21.2 tttm -64.61 -66.07 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.458 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 5.6 ptm180 -38.01 -26.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 35' ' ' LYS . 89.9 p -95.08 -33.85 12.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 34' ' ' PHE . 84.6 t -82.83 -58.72 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.498 ' HG2' ' CG ' ' A' ' 35' ' ' LYS . 2.8 ppt_? -53.56 -27.52 26.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.478 ' HG3' ' NE ' ' A' ' 39' ' ' ARG . 25.9 mtp180 -95.02 -22.06 18.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 71.94 40.89 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 37' ' ' SER . 13.4 mt -77.25 170.5 16.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.0 m -149.55 119.22 7.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.575 ' CD2' ' HB3' ' A' ' 63' ' ' GLN . 10.3 m-85 -103.6 162.06 13.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.001 0.429 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.5 m -122.56 101.83 7.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.4 t -57.54 110.52 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -64.02 -12.2 36.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.25 -172.23 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -80.51 31.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 53.14 36.72 23.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -127.36 22.84 6.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.4 m -67.1 122.29 82.03 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 89.77 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.47 HD12 ' HB2' ' A' ' 66' ' ' ARG . 29.2 mm -67.08 107.76 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.439 ' C ' ' HB2' ' A' ' 13' ' ' CYS . 6.2 t0 -126.59 -173.9 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.92 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.761 0.315 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.575 ' HB3' ' CD2' ' A' ' 44' ' ' TYR . 17.6 mt-30 -61.32 -66.8 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.542 ' CD2' ' N ' ' A' ' 65' ' ' CYS . 14.1 t80 -49.35 -72.15 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.542 ' N ' ' CD2' ' A' ' 64' ' ' TYR . 47.9 m -37.49 -59.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.47 ' HB2' HD12 ' A' ' 54' ' ' ILE . 66.7 ttt180 -49.28 -52.98 24.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 68' ' ' LYS . 1.9 tp -57.62 -58.98 5.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.531 ' HG3' ' CZ ' ' A' ' 64' ' ' TYR . 19.8 mmtt -48.83 -44.96 39.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.72 -29.94 5.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 77.7 m -67.09 -50.84 60.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.408 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 14.0 mt -62.64 -21.44 65.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 1.4 tmtp? -81.99 -59.4 2.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.8 m -50.54 -28.15 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 144.44 -36.71 1.44 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 74' ' ' GLY . 59.2 mtp -35.34 116.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.75 0.31 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.427 ' HE ' ' CG ' ' A' ' 78' ' ' GLU . 4.7 ptm180 -98.71 147.24 25.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.436 ' HE ' HG13 ' A' ' 38' ' ' VAL . 79.1 mtp180 -73.61 -40.5 63.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.427 ' CG ' ' HE ' ' A' ' 76' ' ' ARG . 11.9 pm0 -53.43 -30.52 40.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.03 -46.2 82.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.598 HG22 ' CE1' ' A' ' 22' ' ' TYR . 40.9 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.503 HD13 ' CE1' ' A' ' 25' ' ' PHE . 10.3 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.82 0.343 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -104.61 162.8 12.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 15' ' ' ASP . 44.9 t -79.12 126.34 30.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.59 ' O ' HG11 ' A' ' 73' ' ' VAL . 30.3 m -75.09 7.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.402 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 79.0 t -112.62 -56.03 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.405 ' HB2' ' CA ' ' A' ' 56' ' ' GLN . 29.5 p -114.31 -14.21 12.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.23 -20.4 50.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.539 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 10' ' ' CYS . 35.5 t0 -47.43 140.47 5.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HD3' ' C ' ' A' ' 16' ' ' LYS . 11.3 tmtt? -45.6 100.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 t -54.89 134.89 48.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.9 p -75.8 -22.28 56.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.99 -173.33 39.18 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -78.66 87.34 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -98.22 128.5 44.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.573 ' CD2' ' HE3' ' A' ' 75' ' ' MET . 15.5 m-85 59.27 41.22 20.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.54 18.48 65.79 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -149.98 146.82 27.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.503 ' CE1' HD13 ' A' ' 8' ' ' ILE . 27.8 m-85 -81.53 108.98 15.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.8 p -140.41 142.47 35.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.5 p -63.47 160.12 17.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.18 -39.21 59.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.23 -46.15 93.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.552 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 78.3 m -83.54 -19.28 35.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.897 0.379 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 32' ' ' SER . 2.9 tmmm? -64.6 -49.63 70.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.49 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 58.9 p -81.93 -38.14 25.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -58.57 -30.65 67.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.557 ' CD2' ' HE3' ' A' ' 75' ' ' MET . 59.9 t80 -75.03 -48.98 21.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.458 ' HG2' ' HG2' ' A' ' 39' ' ' ARG . 28.7 tttt -67.23 -62.48 1.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 35' ' ' LYS . 16.6 ptt180 -34.76 -34.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 35' ' ' LYS . 11.5 p -84.29 -50.96 7.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.97 -58.36 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.458 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -51.03 -30.0 14.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.547 ' HB3' HD21 ' A' ' 42' ' ' LEU . 21.8 mtp180 -93.44 -12.61 29.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.5 m120 64.28 40.47 6.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 40' ' ' ARG . 14.4 mt -81.5 175.34 10.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.9 m -162.38 112.79 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.416 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 7.9 m-85 -92.2 143.79 26.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.1 m -102.51 101.26 11.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.501 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 52.5 t -61.01 109.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.28 -8.44 46.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.33 -172.0 2.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -79.98 34.5 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.418 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 72.3 mtt-85 44.32 29.75 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -121.78 22.26 10.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.9 m -63.96 130.27 94.39 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.621 0.724 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 105.27 1.45 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.352 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.509 HD12 ' HB2' ' A' ' 66' ' ' ARG . 50.2 mm -86.45 113.6 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.155 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -143.88 178.99 7.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.405 ' CA ' ' HB2' ' A' ' 13' ' ' CYS . 1.5 tp-100 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 53.6 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.416 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 21.7 mt-30 -91.53 -56.56 3.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.954 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.523 ' CD1' ' N ' ' A' ' 65' ' ' CYS . 0.9 OUTLIER -59.63 -59.75 4.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.868 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.523 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 66.0 m -47.83 -53.43 15.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.509 ' HB2' HD12 ' A' ' 54' ' ' ILE . 77.5 ttt180 -58.48 -55.95 28.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.746 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -50.53 -46.04 57.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.518 ' N ' HD13 ' A' ' 67' ' ' LEU . 59.1 mmtt -63.01 -52.14 64.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.459 ' O ' HG13 ' A' ' 73' ' ' VAL . 4.9 ttmt -36.21 -29.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 68' ' ' LYS . 64.4 m -62.75 -57.66 10.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.457 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 9.8 mt -60.73 -17.76 50.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -83.77 -59.43 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.59 HG11 ' O ' ' A' ' 11' ' ' VAL . 35.1 m -48.13 -26.39 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.479 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 140.8 -35.5 1.85 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.472 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.573 ' HE3' ' CD2' ' A' ' 22' ' ' TYR . 33.8 mmm -32.15 139.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.838 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -113.51 149.28 34.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.457 ' HG3' ' CD2' ' A' ' 71' ' ' LEU . 17.9 mtm105 -85.11 -35.97 21.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -49.47 -39.15 32.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 80' ' ' VAL . . . -66.14 -50.24 64.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' ALA . 77.9 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.9 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.799 0.333 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -109.88 164.15 12.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 15' ' ' ASP . 49.8 t -80.73 126.14 30.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.699 ' O ' HG11 ' A' ' 73' ' ' VAL . 18.8 m -74.83 8.28 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.4 t -114.68 -54.58 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 56' ' ' GLN . 29.3 p -116.44 -12.89 10.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.89 -22.95 38.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 10' ' ' CYS . 19.8 t70 -43.85 138.71 2.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.895 0.379 . . . . 0.0 110.824 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -47.18 106.07 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.9 t -63.09 134.59 56.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 m -78.43 -16.93 57.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.54 -166.75 37.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 22.2 ttmt -86.02 83.17 7.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.939 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 24' ' ' GLN . 14.0 m-70 -89.88 119.45 30.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 69.0 37.98 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.12 16.78 73.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.456 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 21' ' ' HIS . 10.3 tp60 -148.84 152.31 36.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.353 . . . . 0.0 110.911 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.424 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 43.0 m-85 -84.96 102.21 12.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.1 p -136.34 144.34 44.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.144 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.9 p -62.12 173.76 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -69.53 -31.85 70.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.3 -40.06 98.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.503 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.2 m -87.09 -35.51 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.964 0.411 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -47.41 -56.78 6.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t -71.63 -45.42 62.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -50.96 -35.6 34.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.745 ' O ' HG23 ' A' ' 38' ' ' VAL . 50.2 t80 -69.8 -47.13 63.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 38' ' ' VAL . 35.4 tttt -64.7 -59.59 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -43.43 -31.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.615 ' HA ' HD12 ' A' ' 42' ' ' LEU . 22.4 p -86.33 -30.3 22.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 34' ' ' PHE . 87.0 t -87.08 -61.46 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.505 ' HE ' ' C ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -45.97 -35.17 4.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.467 ' CG ' ' HD3' ' A' ' 39' ' ' ARG . 13.9 mtp180 -91.26 -18.55 24.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 71.4 39.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 37' ' ' SER . 10.5 mt -73.93 171.51 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.5 m -156.15 107.42 2.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.557 ' CD2' ' HB3' ' A' ' 63' ' ' GLN . 10.2 m-85 -87.18 140.55 29.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 26.4 m -103.43 87.95 2.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.49 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 49.6 t -44.76 113.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -79.71 13.2 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.08 -171.36 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 51' ' ' ASN . 6.6 m120 -78.5 41.15 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.56 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 78.1 mtt85 37.06 30.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 49' ' ' ASN . 51.6 p-10 -120.13 15.77 12.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.1 m -57.39 133.0 81.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.731 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 96.49 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.619 HD11 ' HB3' ' A' ' 62' ' ' CYS . 47.5 mm -84.53 89.39 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -130.64 168.45 17.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 13' ' ' CYS . 2.1 tp-100 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.619 ' HB3' HD11 ' A' ' 54' ' ' ILE . 42.1 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.81 0.338 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.557 ' HB3' ' CD2' ' A' ' 44' ' ' TYR . 1.5 mp0 -96.46 -51.51 4.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.56 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 1.0 OUTLIER -64.98 -57.49 8.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.846 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.494 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 86.8 m -49.83 -47.42 51.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.568 ' HB2' HD12 ' A' ' 54' ' ' ILE . 52.4 ttt180 -62.84 -59.96 4.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.776 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -49.65 -49.11 48.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.663 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -64.04 -47.14 81.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.424 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.1 ttmt -39.51 -26.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 68' ' ' LYS . 71.5 m -68.85 -53.41 21.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.422 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 11.6 mt -62.32 -17.15 57.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -85.55 -60.36 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.699 HG11 ' O ' ' A' ' 11' ' ' VAL . 31.4 m -48.77 -38.86 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 156.08 -34.13 0.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.468 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.463 ' C ' ' O ' ' A' ' 74' ' ' GLY . 30.4 mmm -33.39 138.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.739 0.304 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.42 ' HE ' ' HB2' ' A' ' 79' ' ' ALA . 13.2 ptt180 -117.63 143.55 46.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.422 ' HG3' ' CD2' ' A' ' 71' ' ' LEU . 89.1 mtt180 -77.54 -40.28 43.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -46.94 -27.49 1.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.42 ' HB2' ' HE ' ' A' ' 76' ' ' ARG . . . -74.2 -45.8 46.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.3 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.458 HG21 ' CG ' ' A' ' 25' ' ' PHE . 12.3 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.833 0.349 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -106.61 169.03 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' ASP . 49.0 t -83.13 126.45 32.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.699 ' O ' HG11 ' A' ' 73' ' ' VAL . 17.1 m -75.83 8.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.6 t -114.83 -54.87 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.7 p -112.38 -17.99 12.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.68 -12.11 62.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 10' ' ' CYS . 38.7 t70 -60.07 141.65 55.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.368 . . . . 0.0 110.841 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -40.79 109.88 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' ILE . 12.2 t -58.23 141.28 51.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.477 ' CB ' ' HG3' ' A' ' 28' ' ' GLU . 50.7 p -100.35 29.5 4.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.97 164.68 12.89 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 17.3 ttmt -79.39 78.74 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.453 ' CD2' ' HG3' ' A' ' 31' ' ' LYS . 80.4 m-70 -87.28 123.14 31.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 71.07 42.66 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.25 21.62 57.04 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.416 ' HG3' HG21 ' A' ' 11' ' ' VAL . 13.0 tp60 -150.14 146.71 27.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 0.0 110.953 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.535 ' O ' HG22 ' A' ' 11' ' ' VAL . 18.6 m-85 -84.1 111.48 19.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.512 HG21 ' SD ' ' A' ' 75' ' ' MET . 73.4 p -143.64 149.61 37.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.17 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 23.2 p -66.84 173.23 3.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.477 ' HG3' ' CB ' ' A' ' 18' ' ' SER . 38.6 mt-10 -69.35 -25.37 64.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.86 -44.22 70.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.461 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 63.6 m -84.49 -32.38 24.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.959 0.409 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -51.66 -50.03 61.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.474 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 78.2 p -78.12 -38.71 43.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -58.72 -33.73 70.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.675 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 47.6 t80 -72.12 -44.72 62.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 37' ' ' SER . 6.2 ttmt -65.7 -66.79 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 37' ' ' SER . 4.6 ptm180 -36.14 -29.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 35' ' ' LYS . 83.9 p -91.66 -43.39 9.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.675 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 79.4 t -70.75 -65.58 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.165 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.48 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -49.0 -24.76 1.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.502 ' HB3' HD21 ' A' ' 42' ' ' LEU . 59.1 mtp85 -95.01 -21.34 18.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 70.82 36.03 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.502 HD21 ' HB3' ' A' ' 40' ' ' ARG . 12.5 mt -72.7 172.36 10.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.4 m -157.6 105.79 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.511 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 22.5 m-85 -89.37 142.81 27.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.8 m -99.9 90.71 4.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.586 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 41.6 t -38.18 119.35 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -81.06 18.25 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -142.13 -174.98 4.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -77.72 41.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.555 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 76.9 mtt85 43.32 37.99 1.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -124.11 14.89 9.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 36.7 m -59.46 130.96 87.92 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.656 0.741 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 100.22 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.665 2.243 . . . . 0.0 112.373 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.815 HG23 ' HD3' ' A' ' 66' ' ' ARG . 48.4 mm -88.67 88.1 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -128.0 175.3 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.0 tp60 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.939 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.769 0.319 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.511 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 18.9 mt-30 -90.79 -47.7 7.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.586 ' CD1' ' HB2' ' A' ' 46' ' ' CYS . 3.9 t80 -64.88 -61.77 1.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.473 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 85.6 m -44.99 -54.11 6.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.815 ' HD3' HG23 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -55.31 -64.13 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.985 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -46.98 -41.85 16.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.723 ' N ' HD13 ' A' ' 67' ' ' LEU . 29.2 mmtt -65.2 -50.43 65.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.417 ' O ' HG22 ' A' ' 73' ' ' VAL . 5.2 ttmt -43.35 -25.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 89.9 m -69.64 -47.14 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.75 -15.14 60.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.14 -53.9 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.699 HG11 ' O ' ' A' ' 11' ' ' VAL . 22.6 m -53.12 -42.4 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 160.25 -34.75 0.43 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.512 ' SD ' HG21 ' A' ' 26' ' ' THR . 28.3 mtp -34.69 126.7 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -109.23 144.52 37.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.84 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.616 ' HD2' HG13 ' A' ' 38' ' ' VAL . 29.9 mtm180 -73.56 -43.86 58.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -42.05 -35.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.83 -47.11 55.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.148 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.434 HG21 HG11 ' A' ' 38' ' ' VAL . 87.9 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.515 HD13 ' CE1' ' A' ' 25' ' ' PHE . 9.4 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.776 0.322 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -105.83 169.79 8.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.484 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.2 t -83.08 123.81 29.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.528 ' O ' HG11 ' A' ' 73' ' ' VAL . 16.4 m -75.43 7.43 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.9 t -111.86 -52.39 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.7 p -116.26 -17.49 10.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 96.85 -6.5 64.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 10' ' ' CYS . 38.6 t0 -63.91 144.29 57.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.903 0.382 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -45.47 106.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 t -62.4 140.58 58.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 t -82.35 -20.07 38.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.44 -169.05 39.07 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 8.2 ttmm -87.71 83.68 7.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.836 0.351 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -95.37 121.2 36.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.621 ' CE1' HG22 ' A' ' 80' ' ' VAL . 27.7 m-85 69.85 39.08 1.5 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.15 23.25 69.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -152.31 149.81 29.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.515 ' CE1' HD13 ' A' ' 8' ' ' ILE . 50.2 m-85 -87.11 106.52 17.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.0 p -139.38 153.92 47.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.2 p -72.38 158.59 35.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.34 -38.14 65.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.08 -44.86 92.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 96.9 m -81.05 -37.42 29.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -47.54 -51.81 19.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.9 p -72.2 -50.08 30.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.463 ' HA ' ' NE ' ' A' ' 36' ' ' ARG . 65.0 t80 -49.54 -35.7 21.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.748 ' O ' HG23 ' A' ' 38' ' ' VAL . 47.1 t80 -70.15 -45.53 66.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 37' ' ' SER . 5.9 ttmt -67.65 -61.32 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.463 ' NE ' ' HA ' ' A' ' 33' ' ' PHE . 9.1 ptp180 -37.38 -27.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 35' ' ' LYS . 85.4 p -98.39 -33.5 11.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 34' ' ' PHE . 55.1 t -77.28 -56.39 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.444 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -59.72 -29.95 68.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -92.77 -21.44 19.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.0 t30 70.85 43.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.3 mt -83.8 169.49 15.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.5 m -154.44 112.88 3.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -94.56 163.33 13.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.6 t -107.82 132.18 53.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.5 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 34.9 t -84.03 115.56 22.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -81.5 23.14 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.454 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . . . -144.16 -175.04 4.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -77.48 41.93 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.518 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 77.9 mtm180 40.72 34.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -126.65 16.01 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.454 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 8.7 m -56.31 126.96 70.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.64 0.733 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 87.64 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.44 HD12 ' HB2' ' A' ' 66' ' ' ARG . 45.2 mm -69.65 98.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -123.09 178.71 4.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.2 tp60 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.934 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 45.3 t . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.746 0.308 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -89.28 -54.42 4.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.528 ' CE2' ' HG3' ' A' ' 68' ' ' LYS . 1.4 t80 -58.65 -60.29 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.511 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 51.6 m -46.8 -54.28 10.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.44 ' HB2' HD12 ' A' ' 54' ' ' ILE . 54.8 ttt180 -56.22 -50.06 72.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.742 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -56.63 -57.59 11.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.608 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.1 mmmp? -54.24 -49.68 68.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 68' ' ' LYS . 1.7 ttmt -38.36 -26.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' LYS . 68.8 m -70.35 -51.4 30.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 23.6 mt -67.12 -9.86 44.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.0 -57.95 2.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.528 HG11 ' O ' ' A' ' 11' ' ' VAL . 30.8 m -50.05 -33.78 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 148.85 -30.93 1.23 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 69.8 mtp -38.13 124.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.745 0.307 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.442 ' CZ ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 ptm180 -104.62 142.6 34.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -73.68 -36.8 65.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.442 ' HG3' ' CZ ' ' A' ' 76' ' ' ARG . 6.4 pt-20 -52.59 -25.59 11.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.31 -34.43 59.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.664 ' O ' HG12 ' A' ' 80' ' ' VAL . 79.7 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.471 HG21 ' CG ' ' A' ' 25' ' ' PHE . 7.8 mt . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.84 0.352 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.8 mp0 -106.88 166.15 10.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.7 t -77.42 120.66 22.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.5 m -71.28 3.19 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.403 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 57.8 t -106.9 -54.2 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.174 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.442 ' HB2' ' CA ' ' A' ' 56' ' ' GLN . 26.7 p -114.21 -17.58 11.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 96.5 -5.35 64.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 10' ' ' CYS . 36.6 t0 -64.41 141.16 58.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.927 0.394 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -43.93 107.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.3 t -67.51 140.42 57.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.9 t -80.04 -21.79 43.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.26 -176.6 38.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.414 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 18.9 ttmt -72.42 96.29 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.33 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -106.26 119.32 38.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 67.15 36.75 3.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.45 12.05 80.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -146.74 148.21 31.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.867 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.471 ' CG ' HG21 ' A' ' 8' ' ' ILE . 57.0 m-85 -83.3 107.81 16.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.1 p -138.88 144.9 39.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.9 p -61.54 175.15 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -72.26 -29.46 63.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.41 -38.93 95.45 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 77.1 m -87.39 -39.89 14.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.91 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -42.86 -49.2 5.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.8 m -75.77 -46.54 30.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.785 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -48.96 -31.65 7.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.488 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 71.9 t80 -75.4 -52.74 10.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.405 ' C ' ' N ' ' A' ' 37' ' ' SER . 43.1 tttt -61.22 -58.58 7.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -43.98 -23.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 35' ' ' LYS . 52.3 p -98.27 -34.68 10.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.488 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 17.9 t -78.98 -55.34 9.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.498 ' NE ' ' HG2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -53.95 -34.51 59.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.524 ' HE ' HD11 ' A' ' 42' ' ' LEU . 22.2 mtm180 -95.27 -16.4 22.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 m120 66.11 42.22 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.524 HD11 ' HE ' ' A' ' 40' ' ' ARG . 14.5 mt -73.28 142.82 47.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.8 m -120.33 113.59 20.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.527 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 25.5 m-85 -93.95 151.65 19.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 46' ' ' CYS . 94.1 m -115.35 85.51 2.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.564 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 40.7 t -37.05 114.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -77.96 11.91 2.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.441 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . . . -132.55 -173.16 3.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -80.08 39.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.424 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 48.6 mtm-85 44.84 35.79 1.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -125.87 18.02 7.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.441 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 7.8 m -62.87 128.48 92.08 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.622 0.725 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 98.92 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.307 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.6 mm -82.19 86.24 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -124.4 153.97 41.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.442 ' CA ' ' HB2' ' A' ' 13' ' ' CYS . 31.4 tp60 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.8 t . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.735 0.302 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.527 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 28.5 mm100 -63.96 -62.37 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.564 ' CD2' ' HB2' ' A' ' 46' ' ' CYS . 14.1 t80 -52.62 -72.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.541 ' N ' ' CD2' ' A' ' 64' ' ' TYR . 61.5 m -37.24 -60.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 51.0 ttt180 -48.12 -53.78 15.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.01 -56.94 14.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.539 ' HG3' ' CZ ' ' A' ' 64' ' ' TYR . 19.1 mmtp -49.74 -49.55 47.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.439 ' O ' HG22 ' A' ' 73' ' ' VAL . 1.2 ttmt -42.99 -27.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 68.2 m -71.16 -54.25 11.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.65 -7.95 17.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -95.04 -59.2 1.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.826 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.461 ' N ' ' HD3' ' A' ' 72' ' ' LYS . 16.8 m -48.36 -39.61 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 154.48 -27.29 0.68 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.447 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 31.2 mmm -42.44 128.14 3.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.794 0.331 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.45 ' HD2' ' CG ' ' A' ' 78' ' ' GLU . 29.1 ptt180 -107.11 146.26 31.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.441 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 16.5 mtp-105 -76.4 -48.88 18.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.45 ' CG ' ' HD2' ' A' ' 76' ' ' ARG . 8.5 pt-20 -36.81 -43.93 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.22 -53.95 46.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 99.5 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -104.16 42.13 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.861 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -99.0 175.63 5.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.38 63.04 1.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.493 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -133.82 172.92 12.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.856 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -108.77 79.38 1.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.88 -172.73 50.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.622 HD13 ' CD1' ' A' ' 25' ' ' PHE . 56.9 mt -79.95 153.96 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.775 0.321 . . . . 0.0 111.125 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.431 ' N ' HG22 ' A' ' 8' ' ' ILE . 35.0 mt-10 -112.88 159.96 18.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.7 t -76.32 118.51 19.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.1 m -68.96 1.14 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.0 t -105.28 -52.08 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.1 p -117.99 -15.33 9.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 10' ' ' CYS . . . 98.17 -20.13 51.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 10' ' ' CYS . 36.0 t0 -49.81 139.59 13.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -43.39 103.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.8 t -53.57 136.93 37.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.4 p -89.57 28.27 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.75 163.3 17.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 30.9 ttmt -63.29 102.2 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.329 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -113.06 130.47 56.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.469 ' CE1' HG22 ' A' ' 80' ' ' VAL . 41.8 m-85 64.77 25.67 12.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.45 -23.71 28.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.2 tp60 -118.31 156.27 29.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.622 ' CD1' HD13 ' A' ' 8' ' ' ILE . 70.0 m-85 -81.92 111.62 18.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.715 HG21 ' SD ' ' A' ' 75' ' ' MET . 45.4 p -137.0 152.27 49.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.179 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.5 p -71.34 177.56 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -71.77 -29.27 64.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.85 -47.87 81.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.537 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 54.5 m -83.48 -28.99 28.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.933 0.397 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.487 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -52.29 -48.31 65.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.487 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 53.6 p -79.52 -41.36 27.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.45 ' CE2' ' HG2' ' A' ' 66' ' ' ARG . 68.1 t80 -56.16 -30.67 62.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.819 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.609 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 60.6 t80 -74.37 -49.28 23.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.542 ' O ' ' N ' ' A' ' 37' ' ' SER . 20.5 tttt -63.8 -63.56 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 35' ' ' LYS . 1.2 ptp180 -34.89 -30.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 35' ' ' LYS . 9.3 p -93.75 -46.5 7.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.72 HG11 HG21 ' A' ' 80' ' ' VAL . 40.0 t -63.93 -61.16 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.427 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -55.28 -27.23 45.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 66.8 mtp180 -91.25 -16.99 26.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 66.48 42.12 2.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 37' ' ' SER . 19.1 mt -80.75 175.37 10.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 51.3 m -161.25 105.66 1.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -91.53 150.87 21.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.5 m -112.81 101.68 9.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.441 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 40.0 t -58.21 107.52 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -62.45 -7.79 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -104.01 -172.58 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -81.11 31.35 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.535 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 86.7 mtt180 50.44 38.22 17.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.39 19.42 8.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.6 m -64.76 130.74 94.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.604 0.716 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 101.61 0.93 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.7 2.267 . . . . 0.0 112.314 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.465 HD12 ' HB2' ' A' ' 66' ' ' ARG . 49.5 mm -86.91 82.04 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.641 ' N ' HE22 ' A' ' 61' ' ' GLN . 4.2 m-20 -107.31 -178.21 3.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -92.83 -41.6 10.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.963 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.04 49.21 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -152.95 123.83 7.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 60' ' ' ASN . 8.4 ptp85 -47.79 176.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.462 ' C ' ' O ' ' A' ' 59' ' ' ARG . 3.0 m-20 -33.34 104.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.641 HE22 ' N ' ' A' ' 55' ' ' ASP . 31.5 mt-30 -92.89 178.67 5.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 46.0 t -37.42 156.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -99.14 -55.39 2.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.535 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 1.4 t80 -57.0 -47.57 80.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.9 m -60.5 -53.47 57.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.465 ' HB2' HD12 ' A' ' 54' ' ' ILE . 52.7 ttt180 -57.39 -48.19 79.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.728 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -61.9 -49.22 77.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.561 ' N ' HD13 ' A' ' 67' ' ' LEU . 33.2 mmtm -58.63 -52.12 67.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.44 ' O ' HG22 ' A' ' 73' ' ' VAL . 5.2 ttmt -37.68 -28.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' LYS . 64.9 m -65.06 -51.74 59.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.39 -14.69 63.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -86.7 -58.08 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 69' ' ' LYS . 28.4 m -53.03 -40.23 36.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 155.78 -33.34 0.62 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.545 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.715 ' SD ' HG21 ' A' ' 26' ' ' THR . 65.2 mtp -34.75 124.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -103.13 143.44 32.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 78' ' ' GLU . 61.7 mtt180 -74.86 -45.96 39.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 77' ' ' ARG . 14.6 pt-20 -36.77 -46.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 80' ' ' VAL . . . -56.88 -51.56 68.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.079 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.72 HG21 HG11 ' A' ' 38' ' ' VAL . 93.8 t -34.92 -37.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -115.67 103.46 10.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.79 157.38 21.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.62 -156.66 23.3 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 t -67.37 131.73 46.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.849 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -120.09 96.24 0.62 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.515 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 170.98 15.29 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.258 . . . . 0.0 112.328 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.6 p -126.07 126.17 43.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.816 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.0 p -96.25 41.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.503 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 t 59.18 41.77 19.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.844 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p -77.77 -45.71 23.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.33 -59.46 4.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -70.76 141.21 51.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -104.97 47.77 0.86 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.9 -162.77 21.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.467 HD13 ' CE1' ' A' ' 25' ' ' PHE . 17.9 mt -83.31 144.66 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.322 . . . . 0.0 111.144 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -108.21 162.26 14.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' ASP . 43.5 t -76.69 126.19 30.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.74 ' O ' HG11 ' A' ' 73' ' ' VAL . 12.5 m -76.59 9.08 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.3 t -114.9 -54.3 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.0 p -113.52 -16.65 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.83 -11.12 66.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 10' ' ' CYS . 27.2 t70 -58.58 141.48 52.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.369 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -44.65 103.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.6 t -57.1 144.1 35.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.8 p -96.51 23.36 6.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.04 162.04 12.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 8.5 tppt? -63.54 112.64 2.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -120.88 123.9 43.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 65.45 40.14 4.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.49 15.27 70.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.451 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.476 ' HG3' HG21 ' A' ' 11' ' ' VAL . 19.5 tp60 -152.33 137.46 17.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.595 ' O ' HG22 ' A' ' 11' ' ' VAL . 48.0 m-85 -74.33 115.58 14.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.1 p -145.15 147.04 32.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.7 p -65.05 168.09 7.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -65.56 -25.15 67.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.27 -40.24 81.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.494 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.5 m -88.78 -28.22 20.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -57.44 -42.91 83.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.475 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 20.6 t -84.21 -37.52 21.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -62.8 -34.47 77.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.534 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 58.9 t80 -69.26 -44.22 72.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.526 ' O ' ' N ' ' A' ' 37' ' ' SER . 15.3 tttp -68.85 -64.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' LYS . 2.8 ptp180 -34.83 -30.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 35' ' ' LYS . 16.8 p -92.47 -42.91 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.705 HG13 ' HE ' ' A' ' 77' ' ' ARG . 35.1 t -69.23 -62.04 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.439 ' NH1' ' HE3' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -52.78 -26.2 13.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.456 ' HB3' HD21 ' A' ' 42' ' ' LEU . 67.9 mtt180 -92.17 -21.46 20.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 73.79 33.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 37' ' ' SER . 13.5 mt -72.19 173.15 8.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.2 m -161.6 105.65 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -89.0 142.72 27.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.5 m -102.5 108.78 20.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.136 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.483 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 17.9 t -78.88 93.17 4.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -52.08 -16.06 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.483 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . . . -85.67 -171.74 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -80.16 31.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.483 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 49.6 mtm180 41.65 32.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -122.45 17.95 10.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.9 m -58.73 130.5 85.59 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.656 0.741 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 98.98 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.413 HD12 ' HB2' ' A' ' 66' ' ' ARG . 48.2 mm -83.76 98.4 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.505 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 4.7 m-20 -121.71 -179.87 4.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.405 ' CD ' ' O ' ' A' ' 56' ' ' GLN . 2.4 tp-100 -89.89 -34.43 16.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -76.68 47.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -156.7 119.44 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -69.68 -69.92 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -85.26 104.63 15.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.505 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 7.7 mt-30 -124.06 164.65 18.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 39.1 t -57.2 139.11 53.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -83.1 -50.84 8.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.483 ' CE2' ' HG2' ' A' ' 50' ' ' ARG . 25.0 t80 -59.08 -59.26 5.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.966 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 56.5 m -51.68 -48.94 63.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.413 ' HB2' HD12 ' A' ' 54' ' ' ILE . 44.3 ttt180 -59.61 -56.19 24.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.825 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -53.33 -48.63 68.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.647 ' N ' HD13 ' A' ' 67' ' ' LEU . 23.9 mmmt -61.31 -48.81 79.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.492 ' O ' HG13 ' A' ' 73' ' ' VAL . 4.6 ttmt -39.05 -25.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 68' ' ' LYS . 72.5 m -69.25 -52.38 28.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.479 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 10.1 mt -63.66 -20.81 66.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -82.9 -53.14 6.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.74 HG11 ' O ' ' A' ' 11' ' ' VAL . 22.3 m -53.51 -31.8 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.475 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 146.39 -35.44 1.33 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.442 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.475 ' C ' ' O ' ' A' ' 74' ' ' GLY . 34.4 mmm -32.52 139.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.442 ' HE ' ' CG ' ' A' ' 78' ' ' GLU . 4.6 ptm180 -109.69 150.69 27.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.705 ' HE ' HG13 ' A' ' 38' ' ' VAL . 69.3 mtp180 -88.04 -36.44 16.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.442 ' CG ' ' HE ' ' A' ' 76' ' ' ARG . 11.7 pt-20 -54.12 -40.03 66.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.31 89.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.431 ' CG1' ' HB3' ' A' ' 39' ' ' ARG . 71.5 t -51.92 -41.47 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -112.16 113.37 25.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -110.58 132.22 54.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 70.87 52.74 13.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.9 t -115.78 136.15 53.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.917 0.389 . . . . 0.0 110.875 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 170.62 -100.18 0.15 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 150.57 68.65 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.308 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 35.6 p -109.16 86.16 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 68.2 m -114.0 91.23 3.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.53 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -116.92 85.06 2.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.916 0.389 . . . . 0.0 110.849 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -94.32 89.48 5.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.21 70.12 0.55 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -163.27 161.05 24.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.87 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -101.03 90.32 4.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.33 150.7 11.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.516 HD13 ' CE1' ' A' ' 25' ' ' PHE . 13.7 mt -82.76 157.06 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.789 0.328 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.422 ' N ' HG22 ' A' ' 8' ' ' ILE . 2.4 pt-20 -119.6 168.17 11.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 15' ' ' ASP . 44.6 t -83.89 123.47 29.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.655 ' O ' HG11 ' A' ' 73' ' ' VAL . 18.4 m -73.89 7.14 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.402 HG13 ' HG2' ' A' ' 69' ' ' LYS . 97.7 t -113.27 -53.59 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.1 p -114.31 -14.89 12.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 94.28 -9.86 71.83 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.54 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 10' ' ' CYS . 10.3 t70 -59.16 140.06 56.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -44.98 107.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 t -63.72 148.23 49.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 m -89.52 -19.46 25.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 166.09 -167.22 39.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.539 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 16.6 ttmt -86.23 80.03 8.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.753 0.311 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -90.24 117.49 29.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 68.93 40.66 1.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.973 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.41 18.53 61.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.439 ' HG3' HG21 ' A' ' 11' ' ' VAL . 21.9 tp60 -148.47 137.41 21.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.539 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 46.8 m-85 -75.34 105.44 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.621 HG21 ' SD ' ' A' ' 75' ' ' MET . 30.8 p -138.38 149.24 45.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.0 p -67.28 170.4 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -67.89 -25.69 65.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.06 -45.47 87.14 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.8 m -84.91 -29.19 25.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -56.44 -46.68 80.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.466 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 3.3 t -79.83 -35.53 38.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -64.92 -29.6 70.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.94 ' O ' HG23 ' A' ' 38' ' ' VAL . 37.0 t80 -74.09 -47.51 35.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 38' ' ' VAL . 35.7 tttp -65.31 -63.45 1.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' LYS . 11.1 ptp180 -35.85 -30.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 35' ' ' LYS . 92.3 p -95.89 -35.41 11.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.94 HG23 ' O ' ' A' ' 34' ' ' PHE . 87.1 t -74.64 -62.13 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.433 ' HD3' ' C ' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -54.87 -26.91 38.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.664 ' HB3' HD21 ' A' ' 42' ' ' LEU . 83.9 mtt180 -91.76 -18.17 24.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 66.1 t30 65.58 41.42 4.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 40' ' ' ARG . 12.1 mt -79.36 153.42 29.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.2 m -134.59 100.95 4.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 63' ' ' GLN . 10.2 m-85 -82.08 157.78 23.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.6 m -118.77 103.44 9.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.102 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.5 t -69.04 97.5 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -54.42 -14.43 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.48 -173.24 3.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -81.13 28.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.494 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 28.8 mtm-85 51.19 37.81 19.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -126.67 19.26 7.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.9 m -61.41 130.42 91.82 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.616 0.722 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 106.03 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.715 2.277 . . . . 0.0 112.332 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.47 HD12 ' HB2' ' A' ' 66' ' ' ARG . 52.1 mm -89.76 95.44 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.532 ' CB ' ' CE1' ' A' ' 57' ' ' HIS . 1.0 OUTLIER -116.74 -174.92 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.462 ' O ' ' C ' ' A' ' 57' ' ' HIS . 6.6 tp60 -93.79 -59.86 1.89 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.532 ' CE1' ' CB ' ' A' ' 55' ' ' ASP . 4.9 p80 -33.2 -45.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -81.1 128.49 33.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -85.2 -64.88 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 -75.04 106.03 6.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.471 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 31.5 mt-30 -132.74 171.4 13.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 53.2 t -52.93 149.78 6.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.431 ' HB3' ' CD2' ' A' ' 44' ' ' TYR . 34.9 mt-30 -88.61 -61.36 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.494 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 8.5 t80 -50.48 -53.19 31.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.955 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.7 m -54.72 -62.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.47 ' HB2' HD12 ' A' ' 54' ' ' ILE . 45.1 ttt180 -48.16 -51.72 23.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 tp -55.85 -57.49 11.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -48.26 -50.16 30.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.463 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -42.66 -26.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 62.0 m -69.74 -46.58 65.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 32.3 mt -70.28 -15.54 62.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.409 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 8.2 tmtm? -89.62 -56.78 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.655 HG11 ' O ' ' A' ' 11' ' ' VAL . 29.6 m -50.47 -38.34 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 154.67 -32.9 0.69 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.621 ' SD ' HG21 ' A' ' 26' ' ' THR . 29.2 mtp -39.84 117.78 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -102.1 136.07 42.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -61.36 -45.3 94.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -43.99 -32.37 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.59 -51.84 56.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.439 HG21 ' CB ' ' A' ' 38' ' ' VAL . 99.5 t -42.61 -55.02 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -159.88 160.89 34.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -121.67 130.77 53.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 166.69 -115.82 0.65 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 85' ' ' GLY . 32.3 t -73.3 -57.12 4.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.927 0.394 . . . . 0.0 110.872 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 84' ' ' SER . . . 34.5 80.76 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.518 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 85.88 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.412 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.5 p -148.43 148.85 30.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.2 m -156.75 125.12 5.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.483 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -126.18 147.42 49.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.374 . . . . 0.0 110.841 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -79.06 -54.11 6.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.49 128.07 2.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.473 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -171.89 158.95 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.898 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -65.4 93.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.01 156.25 8.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 17' ' ' SER . 14.2 mt -85.18 151.04 3.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 111.129 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 14' ' ' GLY . 67.1 mm-40 -103.12 167.27 9.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.507 ' N ' ' O ' ' A' ' 15' ' ' ASP . 44.3 t -83.03 124.55 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.621 ' O ' HG11 ' A' ' 73' ' ' VAL . 19.1 m -74.95 7.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 68.8 t -113.54 -51.97 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.2 p -117.49 -15.6 10.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.402 ' O ' ' OE1' ' A' ' 9' ' ' GLU . . . 97.68 -15.6 61.66 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 10' ' ' CYS . 15.2 t0 -53.38 141.39 24.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 1.2 tppp? -46.75 103.38 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 8' ' ' ILE . 14.4 t -54.72 148.5 12.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.2 t -92.33 -21.83 20.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 169.64 -171.17 43.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -86.3 78.66 9.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -87.77 133.45 33.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 54.62 37.54 28.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.74 24.55 71.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.437 ' HG3' HG21 ' A' ' 11' ' ' VAL . 8.9 tp60 -152.0 138.64 18.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.935 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -75.72 108.69 8.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.9 p -140.81 155.68 46.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 22.1 p -72.34 175.2 6.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -72.17 -26.79 62.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.69 -40.16 90.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.4 m -86.67 -35.91 19.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -44.37 -50.44 9.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.7 m -77.16 -45.09 27.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -49.93 -37.12 30.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.535 ' O ' HG23 ' A' ' 38' ' ' VAL . 54.8 t80 -70.31 -46.63 63.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 37' ' ' SER . 12.5 ttpt -69.47 -65.34 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -36.15 -30.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 35' ' ' LYS . 77.9 p -91.55 -43.31 9.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 34' ' ' PHE . 42.0 t -70.64 -59.2 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.433 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -54.28 -24.66 19.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.415 ' HB3' HD21 ' A' ' 42' ' ' LEU . 31.2 mtp85 -97.78 -19.12 18.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 69.67 34.21 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' A' ' 40' ' ' ARG . 20.0 mt -68.5 149.18 49.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.6 m -133.21 88.5 2.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.455 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 9.6 m-85 -69.37 175.48 3.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.7 m -137.87 106.38 5.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 36.1 t -70.12 106.88 3.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -67.11 -4.03 8.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.03 -171.03 1.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -79.3 24.29 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.404 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 67.0 mtp180 53.98 33.89 18.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -124.85 21.08 8.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.9 m -60.09 127.87 86.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.655 0.741 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 84.97 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.9 mm -64.5 91.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -132.09 154.51 49.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 58' ' ' HIS . 1.0 OUTLIER -51.92 -65.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.9 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' HIS . 11.8 m170 34.93 31.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.812 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.524 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 19.1 p-80 33.97 49.19 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.7 ttp-105 -156.1 155.21 32.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.429 ' C ' ' HG3' ' A' ' 61' ' ' GLN . 1.9 m120 -53.97 169.56 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.429 ' HG3' ' C ' ' A' ' 60' ' ' ASN . 7.9 mt-30 -145.54 158.81 43.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 66' ' ' ARG . 13.8 t -49.07 128.81 16.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.455 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 81.6 mt-30 -57.67 -68.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.421 ' CD2' ' N ' ' A' ' 65' ' ' CYS . 28.3 t80 -49.12 -73.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.421 ' N ' ' CD2' ' A' ' 64' ' ' TYR . 65.2 m -37.92 -55.69 1.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.472 ' CB ' ' O ' ' A' ' 62' ' ' CYS . 1.5 tpt180 -49.91 -54.9 16.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.3 tp -53.06 -54.67 32.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm -51.16 -46.42 62.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.698 ' O ' HG13 ' A' ' 73' ' ' VAL . 2.6 ttmt -50.84 -22.49 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.502 ' O ' HG22 ' A' ' 73' ' ' VAL . 62.0 m -74.45 -56.29 5.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.1 mt -63.4 -19.09 64.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -82.28 -53.4 6.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 69' ' ' LYS . 35.8 m -55.57 -20.23 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 136.05 -37.31 1.91 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.461 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 74' ' ' GLY . 73.0 mtp -33.37 119.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.2 ptt85 -103.21 137.6 41.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 78' ' ' GLU . 36.5 mtt180 -63.73 -46.62 84.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' ARG . 2.0 pm0 -37.23 -42.79 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 80' ' ' VAL . . . -58.86 -53.21 60.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 79' ' ' ALA . 97.8 t -36.37 -45.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -120.09 79.55 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -59.0 143.89 46.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -144.66 -114.36 0.93 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.2 t -116.59 -61.76 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.961 0.41 . . . . 0.0 110.85 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -146.05 -169.73 14.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 87.79 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.352 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 51.8 p -132.07 82.56 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.1 m -131.28 83.64 2.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.516 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.1 m -120.94 126.27 49.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.835 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -86.96 124.29 33.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.11 -110.42 1.33 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -46.59 133.05 10.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.0 p -54.28 143.07 24.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.47 164.7 10.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.696 ' CD1' ' CE1' ' A' ' 25' ' ' PHE . 9.1 mt -85.74 150.94 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 111.14 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.2 mp0 -107.83 165.32 11.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.799 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.6 t -79.14 124.17 28.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.673 ' O ' HG11 ' A' ' 73' ' ' VAL . 27.4 m -75.06 7.15 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.0 t -112.07 -55.7 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.6 p -112.14 -16.93 12.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 96.19 -6.32 66.16 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.512 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 10' ' ' CYS . 33.6 t70 -62.63 141.28 58.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.81 104.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 t -63.56 131.12 47.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 t -74.99 -22.37 58.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 165.79 163.98 20.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.481 ' HE2' ' CE2' ' A' ' 25' ' ' PHE . 6.2 tppt? -61.74 109.9 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -120.03 128.47 53.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 66.01 31.76 8.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.06 13.99 83.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.452 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -152.1 141.6 21.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.696 ' CE1' ' CD1' ' A' ' 8' ' ' ILE . 65.5 m-85 -74.52 112.13 10.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.519 HG21 ' SD ' ' A' ' 75' ' ' MET . 49.5 p -144.36 139.55 28.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.2 p -55.73 168.66 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.3 -19.94 63.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.57 -39.65 55.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 77.9 m -87.49 -31.08 20.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 0.0 110.923 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -55.05 -52.53 62.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.4 m -74.2 -42.98 58.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.46 ' HA ' ' NE ' ' A' ' 36' ' ' ARG . 28.4 t80 -59.23 -28.78 67.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.483 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 44.9 t80 -73.97 -46.03 46.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 37' ' ' SER . 51.5 tttt -68.94 -60.09 2.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.46 ' NE ' ' HA ' ' A' ' 33' ' ' PHE . 8.3 ptp180 -36.13 -28.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -96.58 -44.38 7.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.772 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.654 HG13 ' HE ' ' A' ' 77' ' ' ARG . 35.1 t -65.23 -62.68 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.421 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -54.59 -27.21 37.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.494 ' HB3' HD21 ' A' ' 42' ' ' LEU . 30.4 mtp180 -90.12 -14.0 34.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 m120 63.82 54.85 1.72 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 40' ' ' ARG . 13.1 mt -94.9 164.04 13.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.9 m -146.76 104.98 3.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.534 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 42.7 m-85 -83.97 144.75 28.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.0 m -108.21 89.09 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.169 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.537 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 41.9 t -43.57 116.14 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.44 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 3.2 tpm_? -78.72 14.66 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.417 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . . . -133.72 -172.51 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -79.38 41.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.522 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 62.7 mtm180 41.9 38.46 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -127.02 13.18 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 9.8 m -58.11 131.56 83.84 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.643 0.735 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 106.3 1.63 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.311 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.515 HD12 ' HB2' ' A' ' 66' ' ' ARG . 43.4 mm -95.62 82.74 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.501 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 23.0 p30 -115.34 166.14 12.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' HIS . 15.4 tp60 -71.12 -47.96 55.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' GLN . 83.5 m-70 -34.05 -48.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -82.78 155.81 24.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.66 -58.79 1.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -91.95 92.63 8.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 30.5 mt-30 -118.56 164.88 14.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 61' ' ' GLN . 48.6 t -34.09 149.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.534 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 16.7 mt-30 -92.46 -49.9 5.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.537 ' CD1' ' HB2' ' A' ' 46' ' ' CYS . 1.7 t80 -61.17 -55.99 25.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.423 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 51.6 m -51.17 -49.59 60.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.515 ' HB2' HD12 ' A' ' 54' ' ' ILE . 64.9 ttt180 -62.65 -65.35 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.808 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -45.56 -46.15 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.586 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.3 mmmp? -62.63 -49.8 73.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.434 ' O ' HG13 ' A' ' 73' ' ' VAL . 5.8 ttmt -38.87 -26.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 68' ' ' LYS . 75.0 m -67.45 -48.98 65.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.401 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 15.7 mt -69.31 -17.84 63.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -84.75 -56.42 3.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.673 HG11 ' O ' ' A' ' 11' ' ' VAL . 27.6 m -52.18 -41.49 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.422 ' N ' HG23 ' A' ' 73' ' ' VAL . . . 158.64 -31.5 0.47 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.448 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.519 ' SD ' HG21 ' A' ' 26' ' ' THR . 29.3 mtp -39.98 124.23 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -105.5 139.06 40.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.654 ' HE ' HG13 ' A' ' 38' ' ' VAL . 78.8 mtp180 -68.04 -36.18 79.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -57.28 -29.52 63.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.83 -27.25 61.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 81.7 t -69.21 -37.39 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.449 ' CD ' ' O ' ' A' ' 81' ' ' GLN . 4.0 pp0? -128.03 52.07 1.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 82' ' ' ARG . 22.1 mtm105 -46.54 142.67 3.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.9 159.0 27.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.6 m -70.06 79.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.875 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.64 160.72 8.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' SER . 53.5 Cg_endo -69.73 -48.62 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.256 . . . . 0.0 112.345 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' PRO . 56.1 p 37.94 42.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.6 p -58.56 138.86 56.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.089 -0.84 . . . . 0.0 112.492 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.4 p -68.6 85.62 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 t -81.84 89.68 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.16 -128.57 6.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.5 t -90.04 89.8 7.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 0.0 110.85 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.2 p -144.32 119.88 10.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.85 159.86 25.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.6 mt -82.4 144.98 9.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.788 0.328 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -106.06 168.88 8.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 15' ' ' ASP . 47.8 t -83.97 127.84 34.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.703 ' O ' HG11 ' A' ' 73' ' ' VAL . 24.7 m -76.25 9.53 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 66.9 t -115.93 -55.1 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.422 ' HB2' ' CA ' ' A' ' 56' ' ' GLN . 28.9 p -114.6 -14.34 12.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.31 -17.77 58.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 10' ' ' CYS . 17.5 t70 -50.41 139.71 14.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -44.82 102.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.2 t -55.02 139.54 40.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 t -82.52 -23.04 34.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 165.94 -173.78 41.54 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -82.03 84.25 7.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -98.09 122.18 40.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.49 ' CE1' HG22 ' A' ' 80' ' ' VAL . 41.3 m-85 68.22 42.21 1.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.58 19.49 60.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -151.95 145.37 24.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -81.65 113.83 19.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.2 p -143.77 147.65 34.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.177 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.5 p -64.42 175.27 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -70.16 -30.44 67.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.87 -44.2 94.99 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 69.2 m -83.01 -37.21 24.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.934 0.397 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -46.01 -52.71 11.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.3 m -75.16 -45.1 42.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.416 ' CE2' ' HG2' ' A' ' 66' ' ' ARG . 82.5 t80 -52.23 -34.6 46.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.622 ' CD2' ' HE3' ' A' ' 75' ' ' MET . 57.9 t80 -69.53 -47.36 64.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 38' ' ' VAL . 28.3 tttt -69.33 -60.2 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.82 -26.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 35' ' ' LYS . 40.4 p -96.7 -30.57 13.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.547 HG13 ' HE ' ' A' ' 77' ' ' ARG . 6.2 t -83.76 -59.86 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.462 ' HG2' ' CG ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -55.56 -21.47 17.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.689 ' HB3' HD21 ' A' ' 42' ' ' LEU . 39.1 mtp180 -99.04 -13.4 19.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.5 m120 63.98 42.36 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 40' ' ' ARG . 11.2 mt -84.64 166.23 17.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.4 m -151.59 118.78 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.526 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 7.2 m-85 -100.5 154.47 18.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 45' ' ' THR . 3.0 t -106.22 119.15 38.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.522 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 27.5 t -69.82 114.91 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.0 mtm-85 -81.81 24.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.534 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . . . -146.9 -174.98 4.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -77.6 41.76 0.34 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 42.24 38.36 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.817 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.431 ' C ' ' OD1' ' A' ' 51' ' ' ASN . 9.6 p30 -128.55 13.53 6.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.534 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 4.5 m -58.54 133.29 85.65 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.734 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 103.33 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.504 HD12 ' HB2' ' A' ' 66' ' ' ARG . 34.4 mm -92.2 81.46 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -113.55 -179.63 3.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 57' ' ' HIS . 25.4 tp60 -91.14 -43.3 9.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 56' ' ' GLN . 81.6 m-70 -34.21 -46.28 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.401 ' CB ' ' OE1' ' A' ' 61' ' ' GLN . 20.5 m170 -98.42 161.22 13.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -109.29 -51.66 2.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -79.16 98.12 6.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.401 ' OE1' ' CB ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -133.06 172.88 12.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 46.0 t -52.88 145.45 12.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.526 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 19.8 mt-30 -86.3 -53.71 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.522 ' CD1' ' HB2' ' A' ' 46' ' ' CYS . 3.9 t80 -56.59 -59.25 5.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.415 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 41.6 m -47.4 -49.88 23.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.504 ' HB2' HD12 ' A' ' 54' ' ' ILE . 57.7 ttt180 -62.01 -64.8 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.874 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -46.18 -39.87 10.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.658 ' N ' HD13 ' A' ' 67' ' ' LEU . 20.5 mmtp -69.57 -50.55 43.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.476 ' O ' HG13 ' A' ' 73' ' ' VAL . 4.5 ttmt -38.05 -28.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.469 ' N ' ' O ' ' A' ' 68' ' ' LYS . 59.2 m -66.26 -51.77 54.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.8 mt -67.17 -14.99 63.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.01 -53.54 4.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.703 HG11 ' O ' ' A' ' 11' ' ' VAL . 27.7 m -54.22 -39.08 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 155.93 -35.07 0.62 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.622 ' HE3' ' CD2' ' A' ' 34' ' ' PHE . 39.3 mmm -33.62 135.69 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.74 0.305 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -114.74 134.25 55.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.547 ' HE ' HG13 ' A' ' 38' ' ' VAL . 72.0 mtp180 -68.06 -43.35 78.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -42.82 -45.03 4.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.48 -46.96 76.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.49 HG22 ' CE1' ' A' ' 22' ' ' TYR . 59.3 t -50.59 -48.16 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -128.31 120.86 27.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -116.93 173.16 6.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.56 -144.34 10.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.5 m -135.13 158.9 43.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 110.889 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 148.57 -156.1 26.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -1.8 9.12 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.278 . . . . 0.0 112.332 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 83.2 p -69.77 118.57 12.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.2 t -117.0 126.77 53.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.496 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 t -73.3 86.12 1.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 m -99.89 89.34 4.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.41 102.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.44 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -44.56 114.83 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.854 0.359 . . . . 0.0 110.88 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -117.93 150.35 39.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.13 174.39 17.02 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.499 ' CD1' ' CE1' ' A' ' 25' ' ' PHE . 51.4 mt -81.17 153.31 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.783 0.325 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.409 ' N ' HG22 ' A' ' 8' ' ' ILE . 20.3 mp0 -109.86 160.49 16.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.509 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.7 t -77.33 121.34 23.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.471 ' O ' HG11 ' A' ' 73' ' ' VAL . 29.4 m -70.55 3.04 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.408 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 93.4 t -108.51 -53.35 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 56' ' ' GLN . 29.0 p -116.63 -13.43 10.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 10' ' ' CYS . . . 95.55 -16.33 61.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 10' ' ' CYS . 47.0 t0 -51.41 138.0 22.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.875 0.369 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -42.92 97.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.2 t -47.23 139.54 6.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.407 ' HB3' ' CD ' ' A' ' 28' ' ' GLU . 59.8 p -90.59 22.5 3.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.43 178.42 19.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.581 ' HE3' ' CD1' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -66.55 113.17 4.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.428 ' NE2' ' HD3' ' A' ' 31' ' ' LYS . 5.0 m-70 -125.01 126.02 44.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.53 ' CE1' HG22 ' A' ' 80' ' ' VAL . 39.3 m-85 57.95 32.84 22.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.87 14.72 82.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.407 ' HA ' ' HZ3' ' A' ' 20' ' ' LYS . 27.9 tp60 -152.02 137.4 17.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.581 ' CD1' ' HE3' ' A' ' 20' ' ' LYS . 39.1 m-85 -68.35 116.45 8.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -147.56 149.07 31.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.141 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.6 p -65.67 177.0 1.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' CD ' ' HB3' ' A' ' 18' ' ' SER . 25.0 mp0 -75.52 -25.35 57.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.47 -41.3 90.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 79.6 m -85.25 -39.63 17.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.903 0.382 . . . . 0.0 110.912 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.428 ' HD3' ' NE2' ' A' ' 21' ' ' HIS . 8.4 ttpp -44.83 -46.3 10.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.7 t -80.35 -45.29 18.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.546 ' CE2' ' HG2' ' A' ' 66' ' ' ARG . 72.4 t80 -54.48 -28.72 46.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.639 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 43.9 t80 -74.58 -52.68 11.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 37' ' ' SER . 7.8 ttmt -60.99 -63.04 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 35' ' ' LYS . 5.3 ptp180 -34.75 -31.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 35' ' ' LYS . 74.5 p -93.75 -39.83 10.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.695 HG13 ' HE ' ' A' ' 77' ' ' ARG . 40.5 t -70.23 -61.74 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.087 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.461 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -54.23 -28.4 41.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.6 mtp85 -91.33 -20.9 21.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 68.59 43.74 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 37' ' ' SER . 14.0 mt -81.9 175.63 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.0 m -160.83 105.56 1.39 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -90.66 142.19 28.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.2 m -100.74 99.26 9.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.8 t -59.61 109.16 0.85 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 39.4 tpt85 -61.65 -15.55 40.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.96 -172.04 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -79.36 34.54 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.446 ' NH1' ' HB2' ' A' ' 50' ' ' ARG . 12.3 mtp-105 42.08 39.7 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -131.94 14.98 4.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.6 m -52.65 133.17 46.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.649 0.737 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 87.87 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.364 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.438 HD12 ' HB2' ' A' ' 66' ' ' ARG . 26.1 mm -74.4 105.03 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -139.55 -177.46 4.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -84.15 -43.94 14.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -77.62 48.97 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.466 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 6.1 m-70 -149.38 126.39 11.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 46.1 mtp85 -94.32 145.21 24.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 61.55 44.03 9.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' A' ' 58' ' ' HIS . 24.4 mt-30 -59.95 143.31 51.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 43.2 t -46.96 133.36 11.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -68.79 -61.04 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.542 ' CZ ' ' HG3' ' A' ' 68' ' ' LYS . 42.2 t80 -53.12 -71.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' TYR . 58.0 m -36.82 -57.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.546 ' HG2' ' CE2' ' A' ' 33' ' ' PHE . 34.9 ttt180 -53.74 -49.85 67.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.805 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -55.95 -50.3 71.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.657 ' N ' HD13 ' A' ' 67' ' ' LEU . 53.2 mmtt -58.96 -50.52 73.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.427 ' O ' HG22 ' A' ' 73' ' ' VAL . 6.0 ttmt -37.53 -27.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 68' ' ' LYS . 82.0 m -67.23 -52.01 46.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.471 HD21 ' CG ' ' A' ' 77' ' ' ARG . 20.9 mt -68.15 -12.74 61.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 7.9 tmtm? -89.94 -56.64 3.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.471 HG11 ' O ' ' A' ' 11' ' ' VAL . 30.5 m -52.83 -38.15 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 152.14 -30.56 0.89 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 74' ' ' GLY . 63.4 mtp -35.72 122.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 79' ' ' ALA . 15.7 ptt85 -100.89 135.1 42.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.695 ' HE ' HG13 ' A' ' 38' ' ' VAL . 69.7 mtp180 -69.47 -44.62 70.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -41.62 -36.2 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 76' ' ' ARG . . . -63.07 -53.66 50.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.53 HG22 ' CE1' ' A' ' 22' ' ' TYR . 92.7 t -42.42 -41.11 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -118.92 107.59 13.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -76.31 -58.78 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -67.93 -98.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 m 53.87 42.97 31.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.922 0.392 . . . . 0.0 110.837 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 138.09 126.13 2.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -3.39 11.88 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 88' ' ' SER . 1.0 OUTLIER -78.05 105.07 9.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.845 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 87' ' ' SER . 36.8 m 34.28 45.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.09 -0.839 . . . . 0.0 112.453 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t 67.03 42.68 2.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.362 . . . . 0.0 110.883 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.8 p -125.93 140.39 52.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.59 88.99 0.14 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.487 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 m -76.54 -54.12 7.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.826 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -90.84 98.6 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.69 130.13 2.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.45 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.0 mt -89.63 145.87 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 111.108 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -110.37 164.11 13.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 15' ' ' ASP . 41.9 t -81.74 121.23 26.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 25' ' ' PHE . 30.4 m -70.24 2.0 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.424 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 57.3 t -106.33 -57.8 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.5 p -112.4 -15.39 13.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 98.2 -15.7 61.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 10' ' ' CYS . 23.2 t70 -51.81 141.02 18.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.895 0.379 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -45.81 99.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.2 t -54.28 137.74 40.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.7 p -80.06 -24.34 40.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 169.87 -169.11 41.9 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HE2' ' CE2' ' A' ' 25' ' ' PHE . 7.0 ttmm -86.78 85.95 7.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.788 0.328 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -96.52 132.08 42.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.442 ' CE1' HG22 ' A' ' 80' ' ' VAL . 30.8 m-85 58.42 41.21 23.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.05 19.77 64.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -152.24 144.3 23.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.945 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.455 ' O ' HG22 ' A' ' 11' ' ' VAL . 58.2 m-85 -79.88 116.29 19.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.437 HG21 ' SD ' ' A' ' 75' ' ' MET . 25.5 p -150.47 139.81 21.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.0 p -55.79 168.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -65.97 -29.0 69.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.66 -44.74 95.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 76.1 m -83.34 -32.34 26.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.476 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -53.88 -50.39 66.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.476 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 47.9 t -76.2 -37.83 57.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -61.64 -33.88 74.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.602 ' O ' HG23 ' A' ' 38' ' ' VAL . 41.3 t80 -70.69 -42.83 70.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 37' ' ' SER . 18.8 tttm -67.47 -65.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' A' ' 37' ' ' SER . 7.0 ptm180 -35.01 -30.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 35' ' ' LYS . 10.1 p -89.16 -47.62 7.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 34' ' ' PHE . 85.8 t -68.04 -62.47 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.442 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -48.42 -28.65 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.481 ' HB3' HD21 ' A' ' 42' ' ' LEU . 44.7 mtp180 -93.53 -21.79 19.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.4 t30 73.83 33.1 1.03 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.481 HD21 ' HB3' ' A' ' 40' ' ' ARG . 15.2 mt -72.81 171.45 12.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.2 m -158.75 105.94 1.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.411 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 2.4 m-85 -90.77 150.37 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.0 t -108.22 131.12 55.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.165 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.1 t -97.02 91.23 5.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -50.2 -17.78 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.27 -173.19 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -82.11 33.36 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.8 mtm180 41.35 43.16 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.494 ' O ' ' CG ' ' A' ' 51' ' ' ASN . 0.2 OUTLIER -118.76 1.83 11.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.5 m -45.28 119.3 4.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.634 0.73 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 83.84 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.309 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.599 HD12 ' HB2' ' A' ' 66' ' ' ARG . 38.2 mm -62.04 97.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.455 ' O ' ' CD ' ' A' ' 61' ' ' GLN . 3.6 t70 -131.92 163.06 29.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.456 ' O ' ' C ' ' A' ' 57' ' ' HIS . 25.7 tp60 -66.57 -46.7 75.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.456 ' C ' ' O ' ' A' ' 56' ' ' GLN . 76.0 m-70 -34.12 -60.06 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -69.85 139.68 53.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -92.4 -29.9 16.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -108.52 65.0 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.455 ' CD ' ' O ' ' A' ' 55' ' ' ASP . 16.8 mt-30 -76.06 144.42 40.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 61' ' ' GLN . 53.9 t -36.67 154.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.411 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 12.7 mt-30 -89.81 -54.01 4.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -61.56 -59.57 5.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.403 ' HB2' HD11 ' A' ' 54' ' ' ILE . 88.9 m -49.87 -50.53 45.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.599 ' HB2' HD12 ' A' ' 54' ' ' ILE . 53.4 ttt180 -61.37 -58.13 9.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.7 ' C ' HD13 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -49.59 -45.39 47.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.627 ' N ' HD13 ' A' ' 67' ' ' LEU . 2.9 mmmm -64.16 -49.55 71.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' LYS . 3.1 ttmt -37.08 -28.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 68' ' ' LYS . 79.4 m -66.78 -49.27 66.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.489 HD11 ' NH2' ' A' ' 77' ' ' ARG . 20.8 mt -69.4 -12.28 61.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -90.05 -56.98 3.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.447 ' CG2' ' HG3' ' A' ' 75' ' ' MET . 29.1 m -54.65 -33.64 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 150.15 -34.42 1.01 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.447 ' HG3' ' CG2' ' A' ' 73' ' ' VAL . 46.6 mtp -34.82 110.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.776 0.322 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -95.56 135.4 37.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.489 ' NH2' HD11 ' A' ' 71' ' ' LEU . 59.1 mtt180 -65.82 -44.18 86.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -41.79 -34.29 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.15 -52.33 42.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.074 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.442 HG22 ' CE1' ' A' ' 22' ' ' TYR . 80.7 t -44.0 -50.85 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -164.34 165.52 21.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -118.47 131.27 56.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 169.71 -114.86 0.57 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.501 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.0 t -75.84 145.58 40.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.843 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 164.11 83.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 0.8 5.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.293 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.6 m -140.18 125.76 19.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.7 t -172.23 122.69 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.517 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 m -86.99 174.48 8.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.823 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.5 p -82.49 46.65 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -161.68 -164.67 17.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.464 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 4' ' ' GLY . 78.3 p -34.94 123.92 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.863 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -119.5 90.1 3.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.22 167.27 2.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.444 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.8 mt -85.52 146.57 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.331 . . . . 0.0 111.127 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -109.02 165.26 11.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.7 t -84.37 123.27 30.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.419 ' O ' HG11 ' A' ' 73' ' ' VAL . 30.6 m -72.25 4.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.5 t -110.34 -54.5 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.3 p -116.55 -12.93 10.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 97.05 -21.99 43.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 10' ' ' CYS . 31.2 t70 -45.33 139.45 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.926 0.394 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -46.15 102.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.3 t -54.24 144.98 18.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.9 t -89.73 -12.76 38.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 157.32 -170.49 34.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.487 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 16.9 ttmt -84.85 78.65 9.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.33 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -88.46 135.53 33.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.796 ' CE1' HG22 ' A' ' 80' ' ' VAL . 25.2 m-85 55.17 34.69 23.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.76 22.37 76.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -152.05 144.81 24.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.909 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.512 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 46.4 m-85 -79.37 110.9 15.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.6 p -143.86 160.28 41.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.9 p -76.08 177.54 7.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -73.82 -28.61 61.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.27 -40.5 94.75 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 76.4 m -86.24 -37.26 18.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -47.39 -53.59 13.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.0 t -75.29 -46.18 35.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.542 ' CE2' ' HD3' ' A' ' 66' ' ' ARG . 61.8 t80 -50.12 -33.2 18.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.745 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 43.5 t80 -74.92 -46.95 32.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.3 ttpm? -64.47 -63.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' LYS . 2.5 ptm180 -38.03 -26.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 35' ' ' LYS . 65.4 p -98.28 -39.35 8.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.745 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 73.0 t -73.94 -57.35 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.473 ' HB3' HG12 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -58.95 -23.87 61.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.416 ' C ' ' OD1' ' A' ' 41' ' ' ASN . 28.8 mtt180 -97.24 -20.55 17.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.416 ' OD1' ' C ' ' A' ' 40' ' ' ARG . 1.1 m120 68.69 54.81 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 37' ' ' SER . 13.4 mt -94.62 177.09 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.3 m -154.23 115.82 4.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -94.96 135.44 36.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 46' ' ' CYS . 21.4 m -98.54 87.59 3.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.508 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 45.4 t -37.83 114.4 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -77.86 11.07 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -129.24 -172.71 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.449 ' O ' ' CG ' ' A' ' 51' ' ' ASN . 17.6 m-80 -79.55 39.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.466 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 67.0 mtp180 40.63 37.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 49' ' ' ASN . 13.4 m120 -124.68 13.15 8.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.9 m -59.1 127.31 83.68 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.637 0.732 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 89.39 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.73 2.287 . . . . 0.0 112.314 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.766 HG23 ' OE1' ' A' ' 61' ' ' GLN . 50.0 mm -71.38 98.75 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -147.06 160.63 42.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 58' ' ' HIS . 2.3 tp-100 -56.75 -67.04 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.488 ' O ' ' C ' ' A' ' 58' ' ' HIS . 8.0 m170 33.83 35.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.488 ' C ' ' O ' ' A' ' 57' ' ' HIS . 23.0 p80 30.76 47.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -154.97 154.23 32.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -54.9 178.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.766 ' OE1' HG23 ' A' ' 54' ' ' ILE . 3.6 pt20 -165.94 154.69 11.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 61' ' ' GLN . 35.4 t -35.73 151.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -87.52 -47.83 8.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.508 ' CD2' ' HB2' ' A' ' 46' ' ' CYS . 7.2 t80 -66.45 -66.86 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.48 ' N ' ' CD2' ' A' ' 64' ' ' TYR . 81.8 m -40.96 -45.38 2.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.736 ' HB2' HD12 ' A' ' 54' ' ' ILE . 13.8 ttt180 -68.89 -45.1 71.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.78 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -57.75 -48.56 79.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.539 ' N ' HD13 ' A' ' 67' ' ' LEU . 13.4 mmmm -63.19 -50.92 68.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -38.44 -26.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 68' ' ' LYS . 77.6 m -68.77 -48.36 63.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' LYS . 31.4 mt -69.51 -13.9 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 1.7 tmtp? -87.66 -58.13 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.436 ' CG2' ' HG3' ' A' ' 75' ' ' MET . 28.5 m -50.83 -37.56 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 152.41 -33.42 0.84 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.436 ' HG3' ' CG2' ' A' ' 73' ' ' VAL . 47.2 mtp -35.67 111.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.721 0.296 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -96.56 131.4 43.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.0 mtm180 -57.49 -47.47 81.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -41.25 -40.24 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.33 -50.1 74.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.063 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.796 HG22 ' CE1' ' A' ' 22' ' ' TYR . 55.4 t -54.35 -46.08 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -146.52 129.27 16.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -107.82 -47.92 3.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -109.18 103.83 1.84 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 49.2 m -92.16 -48.66 6.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.913 0.387 . . . . 0.0 110.845 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 162.79 -162.94 34.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.457 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 85.82 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.722 2.281 . . . . 0.0 112.336 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 t -136.0 168.54 19.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.3 p -154.13 146.85 24.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.494 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 m -121.1 162.5 19.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -129.09 134.63 48.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -82.31 36.55 2.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.49 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 4' ' ' GLY . 58.6 m 34.11 47.11 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 m -101.81 41.54 1.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.97 173.15 13.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.443 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.596 HD13 ' CE1' ' A' ' 25' ' ' PHE . 39.3 mt -77.99 153.35 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.744 0.307 . . . . 0.0 111.173 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -111.99 166.86 10.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.2 t -81.37 120.61 25.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.457 ' O ' HG11 ' A' ' 73' ' ' VAL . 28.0 m -69.66 1.81 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.413 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 49.7 t -106.11 -55.15 5.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.7 p -112.76 -17.75 12.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 10' ' ' CYS . . . 97.18 -7.01 64.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.473 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 10' ' ' CYS . 21.5 t70 -64.01 139.85 58.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.9 0.381 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.83 104.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.8 t -61.95 141.85 57.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.0 t -82.67 -25.19 33.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.71 167.84 31.64 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 9.9 ttmm -70.71 79.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.506 ' N ' ' O ' ' A' ' 24' ' ' GLN . 0.7 OUTLIER -90.01 136.2 33.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 179.858 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 58.9 46.45 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.19 16.08 47.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 21' ' ' HIS . 25.7 tp60 -149.88 155.24 39.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.596 ' CE1' HD13 ' A' ' 8' ' ' ILE . 38.2 m-85 -89.83 115.65 27.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.879 HG21 ' SD ' ' A' ' 75' ' ' MET . 80.2 p -140.49 151.84 45.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.5 p -73.07 176.44 5.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -73.15 -18.68 61.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.58 -39.16 30.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.464 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 72.3 m -90.3 -37.74 13.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.919 0.39 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 ttpt -42.47 -45.41 4.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 93.1 p -82.21 -45.47 15.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.41 ' CB ' HH21 ' A' ' 66' ' ' ARG . 62.1 t80 -49.94 -35.09 22.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.827 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.9 ' O ' HG23 ' A' ' 38' ' ' VAL . 53.0 t80 -72.78 -45.89 56.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 36' ' ' ARG . 14.3 ttpt -68.04 -64.29 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.4 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 4.2 ptp180 -39.46 -30.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.7 p -89.15 -41.26 12.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 34' ' ' PHE . 85.2 t -72.9 -60.19 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.495 ' HG3' ' N ' ' A' ' 40' ' ' ARG . 2.0 ptp180 -50.12 -33.98 20.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.495 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 26.7 mtp180 -91.39 -18.08 24.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.831 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.1 m120 67.64 36.13 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.8 mt -67.36 172.64 4.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.5 m -153.46 109.3 3.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.534 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 4.7 m-85 -96.05 155.78 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 45' ' ' THR . 1.9 t -109.37 121.16 44.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.185 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 44.2 t -73.18 117.73 15.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.807 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.2 mtt85 -80.75 19.58 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.594 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . . . -141.64 -174.97 4.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -78.07 42.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 43.61 32.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -124.08 14.98 9.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.594 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 6.3 m -56.26 128.68 73.27 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.647 0.737 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 89.24 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.343 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.51 HG23 ' OE1' ' A' ' 61' ' ' GLN . 42.3 mm -71.35 109.19 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.569 ' OD2' ' CD2' ' A' ' 58' ' ' HIS . 2.2 p-10 -133.85 177.78 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' HIS . 28.1 tp60 -94.8 -30.27 14.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.422 ' C ' ' O ' ' A' ' 56' ' ' GLN . 16.9 m-70 -36.57 -62.14 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.569 ' CD2' ' OD2' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -90.74 -178.39 5.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -124.65 -35.67 2.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -78.86 53.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.51 ' OE1' HG23 ' A' ' 54' ' ' ILE . 6.4 pt20 -85.61 162.41 18.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 52.4 t -49.44 147.84 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.534 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 36.1 mt-30 -86.1 -57.5 3.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.509 ' CZ ' ' HG3' ' A' ' 68' ' ' LYS . 18.7 t80 -56.82 -61.5 2.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 57.7 m -47.51 -57.17 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.423 ' HB2' HD12 ' A' ' 54' ' ' ILE . 40.7 ttt180 -49.93 -50.0 47.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.416 ' HG ' ' N ' ' A' ' 68' ' ' LYS . 1.5 tp -58.09 -57.94 10.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.509 ' HG3' ' CZ ' ' A' ' 64' ' ' TYR . 25.2 mmmt -49.77 -49.78 47.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.465 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.6 OUTLIER -39.3 -25.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.483 ' N ' ' O ' ' A' ' 68' ' ' LYS . 56.2 m -75.73 -48.87 20.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' LYS . 39.0 mt -67.58 -9.79 46.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -95.98 -58.28 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 69' ' ' LYS . 24.1 m -48.08 -36.11 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 151.75 -26.1 0.94 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.879 ' SD ' HG21 ' A' ' 26' ' ' THR . 69.0 mtp -50.1 116.99 2.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.747 0.308 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.44 ' HB2' ' CD ' ' A' ' 78' ' ' GLU . 26.6 ptt180 -98.57 160.07 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.496 ' HE ' HG13 ' A' ' 38' ' ' VAL . 40.4 mtp180 -83.49 -47.46 11.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.44 ' CD ' ' HB2' ' A' ' 76' ' ' ARG . 17.0 pm0 -42.58 -28.97 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.54 -51.28 52.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.3 t -52.49 -36.48 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -138.43 117.99 13.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -70.33 124.75 24.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 133.31 66.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.439 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.0 m -116.43 86.58 2.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.89 0.376 . . . . 0.0 110.853 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 136.89 -131.91 5.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.526 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 130.95 20.27 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.342 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 95.0 p -41.56 -44.64 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 72.0 p -65.08 143.91 57.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.817 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.44 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 3' ' ' SER . 89.1 p -127.47 174.02 9.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.944 0.402 . . . . 0.0 110.81 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 2' ' ' SER . 34.9 t -35.06 -58.86 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.857 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.66 105.27 2.62 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -85.67 86.35 7.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 110.837 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.3 m -102.9 -46.85 4.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.34 163.96 25.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.537 HD13 ' CE1' ' A' ' 25' ' ' PHE . 18.1 mt -84.43 143.22 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.728 0.299 . . . . 0.0 111.169 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -104.03 168.27 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 15' ' ' ASP . 49.7 t -84.01 127.16 33.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.65 ' O ' HG11 ' A' ' 73' ' ' VAL . 15.9 m -75.83 9.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.4 t -115.53 -57.65 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.6 p -110.33 -16.45 13.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.92 -14.59 62.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.52 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 10' ' ' CYS . 36.8 t0 -55.67 141.82 36.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.919 0.39 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.91 104.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 8' ' ' ILE . 13.6 t -51.48 143.54 11.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.0 p -101.39 29.69 4.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.98 176.59 15.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -89.0 79.34 7.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.793 0.33 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -90.92 128.56 36.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.826 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.529 ' CE1' HG22 ' A' ' 80' ' ' VAL . 25.4 m-85 67.63 38.62 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.02 22.51 62.68 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.507 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.452 ' HG3' HG21 ' A' ' 11' ' ' VAL . 4.8 tp-100 -151.48 142.32 22.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.934 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.537 ' CE1' HD13 ' A' ' 8' ' ' ILE . 19.1 m-85 -77.65 105.94 9.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.648 HG21 ' SD ' ' A' ' 75' ' ' MET . 34.2 p -137.64 150.96 47.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.3 p -69.98 170.68 10.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -65.81 -35.13 79.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.39 -38.86 96.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 75.0 m -87.87 -39.0 15.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.361 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -44.26 -50.87 8.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.1 t -77.7 -47.93 17.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.8 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -47.49 -36.91 10.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.779 ' O ' HG23 ' A' ' 38' ' ' VAL . 64.5 t80 -70.49 -50.42 38.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 38' ' ' VAL . 14.8 ttpt -62.97 -62.65 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' LYS . 8.3 ptm180 -37.93 -28.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 35' ' ' LYS . 59.9 p -94.93 -35.16 12.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 34' ' ' PHE . 94.9 t -77.42 -67.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.406 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -47.82 -27.42 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.489 ' HB3' HD21 ' A' ' 42' ' ' LEU . 47.8 mtt180 -93.26 -20.47 20.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' VAL . 1.5 t30 70.64 32.31 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 40' ' ' ARG . 17.7 mt -66.92 169.99 7.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.8 m -151.88 109.99 3.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -93.82 149.29 21.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.0 m -112.65 97.88 6.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.137 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.4 t -58.89 106.11 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -62.54 -8.02 5.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.95 -173.46 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -80.95 35.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 46.7 mtt-85 44.67 39.57 3.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 51.9 p30 -130.04 17.11 5.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.5 m -60.96 132.73 92.21 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 103.45 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.682 2.255 . . . . 0.0 112.358 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.62 HG23 ' HG3' ' A' ' 61' ' ' GLN . 25.5 mm -85.04 115.86 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.168 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.6 p30 -150.84 171.69 16.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' HIS . 33.9 tp60 -87.35 -51.42 5.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' GLN . 45.0 m-70 -37.21 -55.47 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -58.26 127.36 31.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -43.06 -68.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -123.82 145.6 48.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.62 ' HG3' HG23 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -131.54 158.42 40.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 61' ' ' GLN . 49.3 t -36.24 150.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -84.8 -60.63 2.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.53 ' CD1' ' N ' ' A' ' 65' ' ' CYS . 2.4 t80 -54.02 -63.66 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.53 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 64.2 m -43.78 -61.12 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.4 ' HD2' ' CD ' ' A' ' 61' ' ' GLN . 56.0 ttt180 -49.03 -47.88 44.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.0 tp -57.41 -56.84 16.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -48.47 -47.38 38.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.529 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.3 ttmt -45.02 -24.99 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.0 m -73.04 -53.43 11.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.5 mt -64.56 -11.83 38.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 73' ' ' VAL . 0.6 OUTLIER -93.04 -59.62 2.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.65 HG11 ' O ' ' A' ' 11' ' ' VAL . 24.1 m -44.96 -31.86 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 147.58 -30.27 1.42 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.648 ' SD ' HG21 ' A' ' 26' ' ' THR . 74.2 mtp -41.85 117.66 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 110.848 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -102.0 144.43 30.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 78' ' ' GLU . 89.9 mtm-85 -70.68 -48.03 56.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 77' ' ' ARG . 10.8 pt-20 -34.62 -44.65 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 78' ' ' GLU . . . -60.55 -53.45 57.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.529 HG22 ' CE1' ' A' ' 22' ' ' TYR . 61.7 t -42.82 -47.44 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.92 136.13 30.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -76.26 83.65 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -114.96 99.65 0.93 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.48 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.2 t -99.24 81.31 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.379 . . . . 0.0 110.842 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 177.23 154.65 12.33 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 162.08 43.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.732 2.288 . . . . 0.0 112.337 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.6 t -101.53 42.51 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.0 m -68.51 -61.28 1.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.502 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 3' ' ' SER . 3.2 m -73.45 -54.56 7.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 2' ' ' SER . 7.5 t -37.03 101.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.67 156.48 8.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.481 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -112.91 79.61 1.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.915 0.388 . . . . 0.0 110.855 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -64.65 172.65 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.76 157.59 4.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.497 HG21 ' CG ' ' A' ' 25' ' ' PHE . 6.9 mt -88.01 147.39 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.774 0.321 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.7 170.0 8.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 15' ' ' ASP . 43.6 t -80.62 125.47 30.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.716 ' O ' HG11 ' A' ' 73' ' ' VAL . 16.7 m -75.11 7.69 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.7 t -113.66 -53.39 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 56' ' ' GLN . 26.6 p -113.58 -17.32 12.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 95.49 -4.39 66.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.451 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 10' ' ' CYS . 21.8 t70 -66.62 139.93 57.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -41.02 107.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 t -60.9 149.02 37.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.0 p -100.9 15.84 27.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.28 172.29 13.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -73.86 76.76 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -83.82 118.9 24.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.483 ' CD2' ' HE3' ' A' ' 75' ' ' MET . 30.5 m-85 70.09 40.28 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.69 15.42 64.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -146.13 148.57 32.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.941 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.497 ' CG ' HG21 ' A' ' 8' ' ' ILE . 36.8 m-85 -83.26 104.89 13.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.1 p -138.1 154.06 49.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.6 p -71.39 173.32 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -69.37 -30.65 68.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.56 -45.33 96.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 61.3 m -83.74 -37.4 22.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.929 0.395 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -45.1 -55.44 5.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -71.44 -42.98 67.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.436 ' CE2' ' HG2' ' A' ' 66' ' ' ARG . 74.1 t80 -52.97 -35.27 58.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.56 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 42.5 t80 -70.19 -47.01 63.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.561 ' HG2' ' N ' ' A' ' 36' ' ' ARG . 11.4 ttmt -65.0 -67.87 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.561 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 5.8 ptm180 -34.99 -31.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.817 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 35' ' ' LYS . 35.5 p -89.9 -41.97 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.56 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 28.8 t -70.56 -57.4 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.492 ' HG3' ' N ' ' A' ' 40' ' ' ARG . 1.3 ptp180 -54.02 -33.28 56.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.492 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 26.0 mtp180 -90.79 -19.13 23.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 m120 69.21 38.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.6 mt -72.71 167.92 19.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 89.9 m -152.13 111.04 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -99.72 158.14 15.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.0 t -113.48 140.09 48.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.511 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 11.1 t -105.24 97.38 7.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -51.93 -16.61 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.511 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . . . -88.24 -172.41 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -79.57 23.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.43 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 80.7 mtt85 53.88 39.54 30.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -130.46 20.23 5.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.3 m -59.63 128.17 85.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.626 0.726 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 90.52 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.246 . . . . 0.0 112.354 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.2 mm -71.96 93.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.527 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 8.0 t0 -114.26 -173.74 2.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' HIS . 27.5 tp60 -106.47 -38.81 6.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.416 ' C ' ' O ' ' A' ' 56' ' ' GLN . 25.3 m-70 -36.84 -61.54 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -80.29 149.16 30.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.424 ' HD3' ' C ' ' A' ' 59' ' ' ARG . 0.6 OUTLIER -81.41 -37.26 28.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.403 ' C ' ' HG2' ' A' ' 61' ' ' GLN . 38.8 m-20 -77.57 134.29 38.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 41.9 mm-40 -149.86 148.73 29.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.7 t -64.58 125.3 24.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -56.07 -68.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.536 ' CZ ' ' HG3' ' A' ' 68' ' ' LYS . 18.5 t80 -47.55 -72.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.528 ' N ' ' CD2' ' A' ' 64' ' ' TYR . 36.3 m -36.45 -50.16 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.436 ' HG2' ' CE2' ' A' ' 33' ' ' PHE . 27.0 ttt180 -59.13 -63.48 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.777 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -46.6 -51.81 14.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.65 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.3 mmmp? -58.86 -51.87 68.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -37.03 -28.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 68' ' ' LYS . 70.8 m -65.17 -53.27 47.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.471 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 11.9 mt -66.17 -9.97 36.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -94.11 -56.97 2.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.716 HG11 ' O ' ' A' ' 11' ' ' VAL . 26.6 m -52.72 -35.34 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 150.32 -29.79 1.08 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.521 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.504 ' HE3' ' CD2' ' A' ' 34' ' ' PHE . 33.1 mmm -41.47 132.15 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.82 0.343 . . . . 0.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -109.31 148.12 31.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.471 ' HG3' ' CD2' ' A' ' 71' ' ' LEU . 43.3 mtp180 -79.77 -38.05 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -50.68 -30.44 13.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.63 -50.74 48.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.43 HG21 ' HB ' ' A' ' 38' ' ' VAL . 80.8 t -41.31 -43.3 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -109.91 69.13 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.3 ttp85 -142.99 131.42 22.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 110.0 89.48 1.98 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.7 t -78.71 144.04 35.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.912 0.387 . . . . 0.0 110.839 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 155.16 78.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.523 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 87' ' ' SER . 53.6 Cg_endo -69.75 -46.84 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 86' ' ' PRO . 2.5 t -36.86 -61.17 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.8 p -53.02 94.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.834 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.506 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 p -93.44 -43.46 8.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.3 p -137.66 174.84 10.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.81 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.74 156.24 40.23 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 p -139.39 124.23 18.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.925 0.393 . . . . 0.0 110.833 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -105.15 45.92 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.49 177.21 16.42 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.432 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.6 mt -90.07 144.72 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.776 0.322 . . . . 0.0 111.134 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -111.76 163.97 13.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.5 t -79.04 125.32 29.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.489 ' O ' HG11 ' A' ' 73' ' ' VAL . 22.1 m -75.01 6.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.643 HG11 ' NE ' ' A' ' 66' ' ' ARG . 83.0 t -112.29 -54.32 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.438 ' HB2' ' CA ' ' A' ' 56' ' ' GLN . 29.0 p -115.96 -14.1 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 96.72 -15.6 62.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 10' ' ' CYS . 36.6 t0 -50.48 140.06 14.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.366 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -47.89 107.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.3 t -63.58 143.1 58.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.4 p -89.41 -14.23 35.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 161.14 -177.24 37.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.414 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 5.3 ttmm -77.28 95.48 4.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -104.26 124.36 49.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 62.36 44.69 7.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.69 19.01 57.78 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.53 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -151.73 141.51 21.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.341 . . . . 0.0 110.932 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.414 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 38.7 m-85 -76.97 107.66 9.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.617 HG21 ' SD ' ' A' ' 75' ' ' MET . 27.6 p -140.37 146.13 38.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.4 p -64.22 164.53 10.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -63.5 -30.24 71.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.96 -35.95 91.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.42 ' HB3' ' NH2' ' A' ' 66' ' ' ARG . 83.0 m -88.02 -39.11 14.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -48.37 -47.71 37.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 85.3 p -72.38 -54.22 10.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.575 ' CE1' ' HG3' ' A' ' 66' ' ' ARG . 3.6 t80 -46.27 -37.07 6.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.734 ' O ' HG23 ' A' ' 38' ' ' VAL . 42.8 t80 -67.26 -50.52 60.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 37' ' ' SER . 18.2 ttpt -60.94 -63.9 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' LYS . 13.6 ptt180 -36.95 -28.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 35' ' ' LYS . 95.9 p -96.71 -35.53 10.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 34' ' ' PHE . 73.4 t -75.02 -56.01 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.423 ' HD3' ' C ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -60.49 -24.85 65.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.401 ' HG2' ' HD3' ' A' ' 39' ' ' ARG . 42.8 mtt180 -97.56 -18.13 19.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.1 m120 65.39 53.79 1.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.1 mt -93.19 143.2 26.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.1 m -126.09 86.96 2.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.523 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 20.6 m-85 -60.75 149.62 35.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.4 m -105.35 99.65 9.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.162 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.5 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 51.0 t -59.08 110.29 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.01 19.35 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.406 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . . . -133.26 -171.83 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 51' ' ' ASN . 6.1 m120 -79.09 40.76 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.498 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 43.9 mtm180 37.56 30.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.4 p-10 -120.41 14.28 11.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 6.4 m -58.04 129.99 82.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.588 0.709 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 112.54 3.11 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.359 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.487 HD12 ' HB2' ' A' ' 66' ' ' ARG . 38.3 mm -96.55 99.31 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.447 ' O ' ' CD ' ' A' ' 61' ' ' GLN . 2.4 m-20 -132.35 -178.05 4.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.438 ' CA ' ' HB2' ' A' ' 13' ' ' CYS . 23.2 tp60 -88.2 -52.75 5.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -92.8 50.13 1.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -128.39 158.37 38.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 60' ' ' ASN . 17.5 mmm180 -57.54 -177.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 59' ' ' ARG . 26.3 t-20 -34.93 107.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.447 ' CD ' ' O ' ' A' ' 55' ' ' ASP . 24.3 mt-30 -78.36 115.84 18.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 61' ' ' GLN . 26.3 t -36.56 146.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.523 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 77.0 mt-30 -76.8 -62.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.566 ' CD1' ' N ' ' A' ' 65' ' ' CYS . 2.9 t80 -52.88 -66.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.566 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 39.9 m -38.88 -48.26 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.643 ' NE ' HG11 ' A' ' 12' ' ' VAL . 2.6 tpt180 -64.15 -64.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.85 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -43.17 -39.67 2.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.643 ' N ' HD13 ' A' ' 67' ' ' LEU . 49.0 mmtt -71.72 -40.32 69.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.499 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -52.83 -24.19 8.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.841 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.445 ' O ' HG22 ' A' ' 73' ' ' VAL . 86.3 m -67.96 -52.92 30.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.11 -25.99 68.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 7.5 tmtt? -75.48 -55.78 5.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 69' ' ' LYS . 27.3 m -53.78 -26.34 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 139.8 -35.1 1.96 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.617 ' SD ' HG21 ' A' ' 26' ' ' THR . 59.3 mtp -36.58 117.88 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.738 0.304 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 76' ' ' ARG . 4.7 ptp180 -99.66 137.11 38.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -61.18 -50.09 74.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -40.72 -35.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.95 -50.04 75.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.533 HG21 ' HB ' ' A' ' 38' ' ' VAL . 70.6 t -46.22 -53.67 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.166 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.45 ' CD ' ' O ' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -124.11 110.05 14.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.9 ttt-85 -123.54 42.76 3.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 144.89 69.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.2 m -123.98 93.03 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.937 0.399 . . . . 0.0 110.895 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -146.87 69.04 0.38 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 143.95 52.26 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.325 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 57.7 m -81.57 109.64 16.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.9 t -120.51 41.93 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.485 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -96.93 -48.41 5.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.844 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t -123.02 83.31 2.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 155.1 -39.94 0.62 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 4' ' ' GLY . 96.6 p -37.27 139.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.91 0.386 . . . . 0.0 110.844 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 p -120.36 151.87 38.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.845 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.82 165.88 34.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.488 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.536 HG22 ' N ' ' A' ' 9' ' ' GLU . 11.0 mt -75.77 163.58 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 111.116 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.536 ' N ' HG22 ' A' ' 8' ' ' ILE . 1.7 pt-20 -122.89 168.82 11.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 15' ' ' ASP . 47.3 t -84.01 120.18 25.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.4 m -70.46 2.52 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.8 t -106.67 -50.9 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.7 p -117.3 -16.99 10.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 10' ' ' CYS . . . 95.41 -7.05 68.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.517 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 10' ' ' CYS . 25.7 t0 -63.46 139.49 58.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.27 107.44 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.4 t -63.54 146.48 53.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.0 t -88.77 -16.31 32.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.44 -179.72 39.06 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.456 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.542 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 15.7 ttmt -78.37 84.25 4.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.758 0.313 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -92.36 116.6 29.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 68.19 47.66 0.99 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.19 19.34 51.71 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -151.98 143.19 23.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.954 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.542 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 68.5 m-85 -82.79 111.78 19.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.8 p -142.33 138.48 31.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.8 p -53.49 174.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -73.78 -25.23 60.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.07 -40.46 93.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 59.6 m -89.77 -28.44 19.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.453 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -55.35 -45.02 76.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.453 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 2.6 m -81.78 -29.8 32.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.542 ' CE2' ' HD3' ' A' ' 66' ' ' ARG . 92.6 t80 -66.2 -34.69 78.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.848 ' O ' HG23 ' A' ' 38' ' ' VAL . 43.5 t80 -72.14 -43.15 65.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.436 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 36.8 tttt -67.44 -64.06 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.439 ' HB2' ' NH1' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -45.11 -22.47 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.822 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.5 p -94.2 -40.03 10.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.828 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 34' ' ' PHE . 95.2 t -78.17 -57.89 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.438 ' HB2' ' NH1' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -52.55 -29.72 26.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.5 ' HB3' HD21 ' A' ' 42' ' ' LEU . 30.6 mtp85 -95.55 -21.07 18.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 74.68 32.09 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 40' ' ' ARG . 12.7 mt -69.32 141.82 54.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.1 m -130.9 87.54 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.193 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -69.17 153.88 42.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.2 m -106.06 133.8 50.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 50.0 t -99.08 94.61 6.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -11.43 2.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.85 -173.84 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -82.58 34.53 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.475 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 64.7 mtm180 43.55 34.74 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -120.98 16.82 11.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.6 m -60.32 123.94 75.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.67 0.748 . . . . 0.0 110.81 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 85.3 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.34 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.744 HG23 ' OE1' ' A' ' 61' ' ' GLN . 24.8 mm -65.39 111.55 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.491 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 3.8 p30 -139.63 178.84 6.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 57' ' ' HIS . 26.5 tp60 -90.88 -59.79 2.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 56' ' ' GLN . 55.3 m-70 -34.98 -49.94 0.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -79.55 144.97 33.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 59' ' ' ARG . 20.5 mtm105 -110.43 178.59 4.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 46.94 37.44 4.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.744 ' OE1' HG23 ' A' ' 54' ' ' ILE . 5.8 pt20 -64.62 168.08 6.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 49.6 t -51.09 161.52 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -99.41 -56.44 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.475 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -61.06 -54.88 39.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.963 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.443 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 56.5 m -51.01 -54.02 28.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.55 ' HB2' HD12 ' A' ' 54' ' ' ILE . 44.5 ttt180 -57.87 -51.29 70.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.836 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -55.01 -44.04 74.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.61 ' N ' HD13 ' A' ' 67' ' ' LEU . 32.4 mmtt -66.55 -49.98 64.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -39.27 -25.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 68' ' ' LYS . 76.1 m -69.41 -49.68 52.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 mt -70.8 -8.89 55.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 73' ' ' VAL . 10.4 tmtt? -91.04 -54.22 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.439 ' CG2' ' HG3' ' A' ' 75' ' ' MET . 30.4 m -54.7 -38.28 42.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 153.69 -29.61 0.75 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.439 ' HG3' ' CG2' ' A' ' 73' ' ' VAL . 44.2 mtp -37.19 121.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.732 0.301 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -102.13 138.64 38.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.447 ' HD2' HG13 ' A' ' 38' ' ' VAL . 47.3 mtm180 -70.43 -41.83 72.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -43.25 -36.31 1.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.16 -47.68 73.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.8 t -44.46 -41.44 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -126.34 99.5 5.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 84' ' ' SER . 0.0 OUTLIER -55.25 152.15 8.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -80.99 70.69 3.03 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.415 ' HB2' ' NH1' ' A' ' 82' ' ' ARG . 67.6 m -112.44 78.76 1.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.912 0.387 . . . . 0.0 110.869 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -126.58 -147.5 6.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 118.03 5.44 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.256 . . . . 0.0 112.335 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 t -75.62 -62.33 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.9 m -66.72 95.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.091 -0.838 . . . . 0.0 112.458 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m 67.0 44.62 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.1 p -109.05 174.52 5.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.44 64.17 4.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.528 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 p -60.49 122.93 15.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.352 . . . . 0.0 110.834 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.8 p -83.2 -49.28 9.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.29 172.47 18.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.517 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.7 mt -79.46 154.39 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 111.116 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -108.58 161.5 15.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.1 t -76.61 120.42 21.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.4 m -69.72 2.22 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.411 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 47.6 t -106.6 -56.92 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.439 ' HB2' ' C ' ' A' ' 55' ' ' ASP . 28.4 p -113.25 -15.05 12.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 98.12 -17.32 58.83 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.456 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 10' ' ' CYS . 27.6 t70 -50.41 139.3 15.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -46.72 103.99 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.1 t -56.43 146.42 24.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.823 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.7 t -91.93 -13.14 31.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.87 -171.43 36.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.548 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 20.2 ttmt -86.06 84.25 7.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.339 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -96.61 124.71 40.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.598 ' CE1' HG22 ' A' ' 80' ' ' VAL . 31.9 m-85 67.08 37.4 3.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.83 16.03 65.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.495 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -146.53 146.38 30.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.888 0.375 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.548 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 40.9 m-85 -82.11 108.35 15.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.421 HG21 ' SD ' ' A' ' 75' ' ' MET . 40.4 p -139.91 158.76 43.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.7 p -74.9 165.8 24.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -63.44 -26.17 68.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.97 -42.45 85.3 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.8 m -85.62 -32.01 22.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.946 0.403 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -51.34 -54.17 28.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t -72.51 -46.54 54.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -49.57 -35.77 21.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.855 ' O ' HG23 ' A' ' 38' ' ' VAL . 53.5 t80 -71.93 -46.47 57.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 38' ' ' VAL . 21.2 tttm -64.61 -66.07 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.458 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 5.6 ptm180 -38.01 -26.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 35' ' ' LYS . 89.9 p -95.08 -33.85 12.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 34' ' ' PHE . 84.6 t -82.83 -58.72 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.498 ' HG2' ' CG ' ' A' ' 35' ' ' LYS . 2.8 ppt_? -53.56 -27.52 26.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.478 ' HG3' ' NE ' ' A' ' 39' ' ' ARG . 25.9 mtp180 -95.02 -22.06 18.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 71.94 40.89 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 37' ' ' SER . 13.4 mt -77.25 170.5 16.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.0 m -149.55 119.22 7.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.575 ' CD2' ' HB3' ' A' ' 63' ' ' GLN . 10.3 m-85 -103.6 162.06 13.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.001 0.429 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.5 m -122.56 101.83 7.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.4 t -57.54 110.52 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -64.02 -12.2 36.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.25 -172.23 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -80.51 31.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 53.14 36.72 23.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -127.36 22.84 6.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.4 m -67.1 122.29 82.03 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 89.77 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.47 HD12 ' HB2' ' A' ' 66' ' ' ARG . 29.2 mm -67.08 107.76 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.522 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 6.2 t0 -126.59 -173.9 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -101.82 -42.89 5.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.563 ' CG ' ' N ' ' A' ' 58' ' ' HIS . 3.5 p80 -41.3 -48.55 3.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.563 ' N ' ' CG ' ' A' ' 57' ' ' HIS . 5.4 t-160 -80.35 159.98 25.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -102.59 -66.02 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -68.12 92.75 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 28.8 mm-40 -102.71 153.17 20.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 21.6 t -56.71 129.8 42.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.575 ' HB3' ' CD2' ' A' ' 44' ' ' TYR . 17.6 mt-30 -61.32 -66.8 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.542 ' CD2' ' N ' ' A' ' 65' ' ' CYS . 14.1 t80 -49.35 -72.15 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.542 ' N ' ' CD2' ' A' ' 64' ' ' TYR . 47.9 m -37.49 -59.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.47 ' HB2' HD12 ' A' ' 54' ' ' ILE . 66.7 ttt180 -49.28 -52.98 24.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 68' ' ' LYS . 1.9 tp -57.62 -58.98 5.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.531 ' HG3' ' CZ ' ' A' ' 64' ' ' TYR . 19.8 mmtt -48.83 -44.96 39.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.72 -29.94 5.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 77.7 m -67.09 -50.84 60.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.408 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 14.0 mt -62.64 -21.44 65.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 1.4 tmtp? -81.99 -59.4 2.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.8 m -50.54 -28.15 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 144.44 -36.71 1.44 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 74' ' ' GLY . 59.2 mtp -35.34 116.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.75 0.31 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.427 ' HE ' ' CG ' ' A' ' 78' ' ' GLU . 4.7 ptm180 -98.71 147.24 25.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.436 ' HE ' HG13 ' A' ' 38' ' ' VAL . 79.1 mtp180 -73.61 -40.5 63.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.427 ' CG ' ' HE ' ' A' ' 76' ' ' ARG . 11.9 pm0 -53.43 -30.52 40.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.03 -46.2 82.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.598 HG22 ' CE1' ' A' ' 22' ' ' TYR . 40.9 t -54.43 -60.2 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 80' ' ' VAL . 71.9 mt-30 -34.36 103.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -58.74 -64.9 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.05 155.25 35.27 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.3 t -94.35 96.28 9.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.955 0.407 . . . . 0.0 110.854 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.32 -153.74 18.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -27.99 25.87 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.717 2.278 . . . . 0.0 112.336 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.6 p -88.86 105.87 18.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.7 m -127.09 -49.01 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.193 -0.781 . . . . 0.0 112.468 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 t -96.31 159.67 14.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 0.0 110.837 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -111.47 82.83 1.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.99 -69.67 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -99.36 43.2 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.7 t -167.02 116.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.12 141.34 12.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.546 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.503 HD13 ' CE1' ' A' ' 25' ' ' PHE . 10.3 mt -85.64 146.45 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 111.127 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -104.61 162.8 12.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 15' ' ' ASP . 44.9 t -79.12 126.34 30.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.59 ' O ' HG11 ' A' ' 73' ' ' VAL . 30.3 m -75.09 7.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.402 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 79.0 t -112.62 -56.03 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.405 ' HB2' ' CA ' ' A' ' 56' ' ' GLN . 29.5 p -114.31 -14.21 12.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.23 -20.4 50.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.539 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 10' ' ' CYS . 35.5 t0 -47.43 140.47 5.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HD3' ' C ' ' A' ' 16' ' ' LYS . 11.3 tmtt? -45.6 100.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 t -54.89 134.89 48.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.9 p -75.8 -22.28 56.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.99 -173.33 39.18 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -78.66 87.34 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -98.22 128.5 44.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.573 ' CD2' ' HE3' ' A' ' 75' ' ' MET . 15.5 m-85 59.27 41.22 20.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.54 18.48 65.79 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -149.98 146.82 27.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.503 ' CE1' HD13 ' A' ' 8' ' ' ILE . 27.8 m-85 -81.53 108.98 15.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.8 p -140.41 142.47 35.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.5 p -63.47 160.12 17.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.18 -39.21 59.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.23 -46.15 93.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.552 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 78.3 m -83.54 -19.28 35.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.897 0.379 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 32' ' ' SER . 2.9 tmmm? -64.6 -49.63 70.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.49 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 58.9 p -81.93 -38.14 25.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -58.57 -30.65 67.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.557 ' CD2' ' HE3' ' A' ' 75' ' ' MET . 59.9 t80 -75.03 -48.98 21.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.458 ' HG2' ' HG2' ' A' ' 39' ' ' ARG . 28.7 tttt -67.23 -62.48 1.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 35' ' ' LYS . 16.6 ptt180 -34.76 -34.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 35' ' ' LYS . 11.5 p -84.29 -50.96 7.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.97 -58.36 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.458 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -51.03 -30.0 14.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.547 ' HB3' HD21 ' A' ' 42' ' ' LEU . 21.8 mtp180 -93.44 -12.61 29.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.5 m120 64.28 40.47 6.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 40' ' ' ARG . 14.4 mt -81.5 175.34 10.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.9 m -162.38 112.79 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.416 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 7.9 m-85 -92.2 143.79 26.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.1 m -102.51 101.26 11.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.501 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 52.5 t -61.01 109.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.28 -8.44 46.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.33 -172.0 2.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -79.98 34.5 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.418 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 72.3 mtt-85 44.32 29.75 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -121.78 22.26 10.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.9 m -63.96 130.27 94.39 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.621 0.724 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 105.27 1.45 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.352 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.509 HD12 ' HB2' ' A' ' 66' ' ' ARG . 50.2 mm -86.45 113.6 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.155 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -143.88 178.99 7.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' HIS . 1.5 tp-100 -94.84 -60.59 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.547 ' CG ' ' N ' ' A' ' 58' ' ' HIS . 18.6 p80 -34.55 -52.9 0.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.547 ' N ' ' CG ' ' A' ' 57' ' ' HIS . 2.6 t-160 -66.3 145.68 55.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.54 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 0.7 OUTLIER -62.17 -178.3 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.866 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 59' ' ' ARG . 5.9 m120 -33.91 112.96 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.544 ' NE2' ' O ' ' A' ' 58' ' ' HIS . 10.5 mp0 -94.3 178.79 5.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' GLN . 53.6 t -36.71 155.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.416 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 21.7 mt-30 -91.53 -56.56 3.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.954 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.523 ' CD1' ' N ' ' A' ' 65' ' ' CYS . 0.9 OUTLIER -59.63 -59.75 4.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.868 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.523 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 66.0 m -47.83 -53.43 15.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.509 ' HB2' HD12 ' A' ' 54' ' ' ILE . 77.5 ttt180 -58.48 -55.95 28.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.746 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -50.53 -46.04 57.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.518 ' N ' HD13 ' A' ' 67' ' ' LEU . 59.1 mmtt -63.01 -52.14 64.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.459 ' O ' HG13 ' A' ' 73' ' ' VAL . 4.9 ttmt -36.21 -29.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 68' ' ' LYS . 64.4 m -62.75 -57.66 10.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.457 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 9.8 mt -60.73 -17.76 50.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -83.77 -59.43 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.59 HG11 ' O ' ' A' ' 11' ' ' VAL . 35.1 m -48.13 -26.39 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.479 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 140.8 -35.5 1.85 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.472 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.573 ' HE3' ' CD2' ' A' ' 22' ' ' TYR . 33.8 mmm -32.15 139.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.838 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -113.51 149.28 34.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.457 ' HG3' ' CD2' ' A' ' 71' ' ' LEU . 17.9 mtm105 -85.11 -35.97 21.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -49.47 -39.15 32.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 80' ' ' VAL . . . -66.14 -50.24 64.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' ALA . 77.9 t -33.83 -37.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 79' ' ' ALA . 11.9 pt20 -119.35 78.09 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 83' ' ' GLY . 23.3 ttp180 -118.92 -43.04 2.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' ARG . . . -34.35 123.91 0.47 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.532 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.6 m -97.39 141.47 30.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 0.0 110.818 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -85.65 -170.54 47.19 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 104.07 1.27 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.309 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.3 m 56.01 42.17 28.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.802 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.6 m -107.47 -44.95 4.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.461 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 p -113.06 100.15 8.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.364 . . . . 0.0 110.856 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 t -63.71 132.41 50.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.94 101.68 1.47 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.52 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -64.13 99.4 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.925 0.393 . . . . 0.0 110.849 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.0 t -45.56 101.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.59 146.53 4.44 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.9 mt -92.1 142.3 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -109.88 164.15 12.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 15' ' ' ASP . 49.8 t -80.73 126.14 30.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.699 ' O ' HG11 ' A' ' 73' ' ' VAL . 18.8 m -74.83 8.28 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.4 t -114.68 -54.58 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 56' ' ' GLN . 29.3 p -116.44 -12.89 10.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.89 -22.95 38.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 10' ' ' CYS . 19.8 t70 -43.85 138.71 2.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.895 0.379 . . . . 0.0 110.824 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -47.18 106.07 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.9 t -63.09 134.59 56.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 m -78.43 -16.93 57.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.54 -166.75 37.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 22.2 ttmt -86.02 83.17 7.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.939 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 24' ' ' GLN . 14.0 m-70 -89.88 119.45 30.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 69.0 37.98 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.12 16.78 73.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.456 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 21' ' ' HIS . 10.3 tp60 -148.84 152.31 36.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.353 . . . . 0.0 110.911 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.424 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 43.0 m-85 -84.96 102.21 12.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.1 p -136.34 144.34 44.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.144 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.9 p -62.12 173.76 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -69.53 -31.85 70.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.3 -40.06 98.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.503 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.2 m -87.09 -35.51 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.964 0.411 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -47.41 -56.78 6.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t -71.63 -45.42 62.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -50.96 -35.6 34.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.745 ' O ' HG23 ' A' ' 38' ' ' VAL . 50.2 t80 -69.8 -47.13 63.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 38' ' ' VAL . 35.4 tttt -64.7 -59.59 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -43.43 -31.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.615 ' HA ' HD12 ' A' ' 42' ' ' LEU . 22.4 p -86.33 -30.3 22.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 34' ' ' PHE . 87.0 t -87.08 -61.46 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.505 ' HE ' ' C ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -45.97 -35.17 4.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.467 ' CG ' ' HD3' ' A' ' 39' ' ' ARG . 13.9 mtp180 -91.26 -18.55 24.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 71.4 39.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 37' ' ' SER . 10.5 mt -73.93 171.51 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.5 m -156.15 107.42 2.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.557 ' CD2' ' HB3' ' A' ' 63' ' ' GLN . 10.2 m-85 -87.18 140.55 29.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 26.4 m -103.43 87.95 2.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.49 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 49.6 t -44.76 113.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -79.71 13.2 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.08 -171.36 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 51' ' ' ASN . 6.6 m120 -78.5 41.15 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.56 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 78.1 mtt85 37.06 30.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 49' ' ' ASN . 51.6 p-10 -120.13 15.77 12.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.1 m -57.39 133.0 81.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.731 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 96.49 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.619 HD11 ' HB3' ' A' ' 62' ' ' CYS . 47.5 mm -84.53 89.39 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.457 ' O ' ' CD ' ' A' ' 61' ' ' GLN . 6.2 m-20 -130.64 168.45 17.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.493 ' O ' ' C ' ' A' ' 57' ' ' HIS . 2.1 tp-100 -78.9 -60.49 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.493 ' C ' ' O ' ' A' ' 56' ' ' GLN . 76.0 m-70 -30.93 -54.5 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -68.7 119.12 12.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -64.2 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -72.89 137.95 45.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.457 ' CD ' ' O ' ' A' ' 55' ' ' ASP . 45.3 mt-30 -148.24 144.26 27.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.619 ' HB3' HD11 ' A' ' 54' ' ' ILE . 42.1 t -53.34 161.29 0.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.557 ' HB3' ' CD2' ' A' ' 44' ' ' TYR . 1.5 mp0 -96.46 -51.51 4.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.56 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 1.0 OUTLIER -64.98 -57.49 8.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.846 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.494 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 86.8 m -49.83 -47.42 51.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.568 ' HB2' HD12 ' A' ' 54' ' ' ILE . 52.4 ttt180 -62.84 -59.96 4.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.776 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -49.65 -49.11 48.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.663 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -64.04 -47.14 81.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.424 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.1 ttmt -39.51 -26.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 68' ' ' LYS . 71.5 m -68.85 -53.41 21.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.422 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 11.6 mt -62.32 -17.15 57.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -85.55 -60.36 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.699 HG11 ' O ' ' A' ' 11' ' ' VAL . 31.4 m -48.77 -38.86 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 156.08 -34.13 0.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.468 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.463 ' C ' ' O ' ' A' ' 74' ' ' GLY . 30.4 mmm -33.39 138.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.739 0.304 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.42 ' HE ' ' HB2' ' A' ' 79' ' ' ALA . 13.2 ptt180 -117.63 143.55 46.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.422 ' HG3' ' CD2' ' A' ' 71' ' ' LEU . 89.1 mtt180 -77.54 -40.28 43.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -46.94 -27.49 1.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.42 ' HB2' ' HE ' ' A' ' 76' ' ' ARG . . . -74.2 -45.8 46.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.3 t -40.86 -42.59 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -109.22 155.28 21.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -66.11 -32.42 73.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 68.9 -147.51 46.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.9 t -107.98 154.76 21.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.97 0.414 . . . . 0.0 110.832 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -111.04 148.52 17.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 173.78 10.53 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.638 2.225 . . . . 0.0 112.376 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 m -51.94 -55.91 17.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.1 m -132.26 135.91 46.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.509 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m -82.97 46.37 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.81 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.2 p -69.94 -41.8 74.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.801 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.7 61.6 1.1 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.47 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -102.52 170.17 8.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.918 0.39 . . . . 0.0 110.842 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 7' ' ' GLY . 34.1 t -40.26 -38.3 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.4 147.15 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.46 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.458 HG21 ' CG ' ' A' ' 25' ' ' PHE . 12.3 mt -85.93 145.06 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 111.059 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -106.61 169.03 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' ASP . 49.0 t -83.13 126.45 32.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.699 ' O ' HG11 ' A' ' 73' ' ' VAL . 17.1 m -75.83 8.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.6 t -114.83 -54.87 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.7 p -112.38 -17.99 12.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.68 -12.11 62.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 10' ' ' CYS . 38.7 t70 -60.07 141.65 55.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.368 . . . . 0.0 110.841 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -40.79 109.88 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' ILE . 12.2 t -58.23 141.28 51.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.477 ' CB ' ' HG3' ' A' ' 28' ' ' GLU . 50.7 p -100.35 29.5 4.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.97 164.68 12.89 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 17.3 ttmt -79.39 78.74 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.453 ' CD2' ' HG3' ' A' ' 31' ' ' LYS . 80.4 m-70 -87.28 123.14 31.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 71.07 42.66 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.25 21.62 57.04 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.416 ' HG3' HG21 ' A' ' 11' ' ' VAL . 13.0 tp60 -150.14 146.71 27.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 0.0 110.953 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.535 ' O ' HG22 ' A' ' 11' ' ' VAL . 18.6 m-85 -84.1 111.48 19.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.512 HG21 ' SD ' ' A' ' 75' ' ' MET . 73.4 p -143.64 149.61 37.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.17 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 23.2 p -66.84 173.23 3.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.477 ' HG3' ' CB ' ' A' ' 18' ' ' SER . 38.6 mt-10 -69.35 -25.37 64.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.86 -44.22 70.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.461 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 63.6 m -84.49 -32.38 24.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.959 0.409 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -51.66 -50.03 61.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.474 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 78.2 p -78.12 -38.71 43.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -58.72 -33.73 70.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.675 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 47.6 t80 -72.12 -44.72 62.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 37' ' ' SER . 6.2 ttmt -65.7 -66.79 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 37' ' ' SER . 4.6 ptm180 -36.14 -29.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 35' ' ' LYS . 83.9 p -91.66 -43.39 9.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.675 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 79.4 t -70.75 -65.58 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.165 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.48 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -49.0 -24.76 1.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.502 ' HB3' HD21 ' A' ' 42' ' ' LEU . 59.1 mtp85 -95.01 -21.34 18.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 70.82 36.03 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.502 HD21 ' HB3' ' A' ' 40' ' ' ARG . 12.5 mt -72.7 172.36 10.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.4 m -157.6 105.79 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.511 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 22.5 m-85 -89.37 142.81 27.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.8 m -99.9 90.71 4.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.586 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 41.6 t -38.18 119.35 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -81.06 18.25 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -142.13 -174.98 4.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -77.72 41.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.555 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 76.9 mtt85 43.32 37.99 1.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -124.11 14.89 9.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 36.7 m -59.46 130.96 87.92 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.656 0.741 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 100.22 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.665 2.243 . . . . 0.0 112.373 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.815 HG23 ' HD3' ' A' ' 66' ' ' ARG . 48.4 mm -88.67 88.1 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -128.0 175.3 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.455 ' O ' ' C ' ' A' ' 57' ' ' HIS . 17.0 tp60 -80.82 -42.33 21.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.455 ' C ' ' O ' ' A' ' 56' ' ' GLN . 13.1 m170 -34.08 -47.99 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -84.41 140.65 31.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -71.39 -62.45 1.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -115.07 126.12 54.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 62' ' ' CYS . 2.2 mp0 -128.11 177.57 6.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' GLN . 42.1 t -34.69 151.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.511 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 18.9 mt-30 -90.79 -47.7 7.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.586 ' CD1' ' HB2' ' A' ' 46' ' ' CYS . 3.9 t80 -64.88 -61.77 1.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.473 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 85.6 m -44.99 -54.11 6.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.815 ' HD3' HG23 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -55.31 -64.13 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.985 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -46.98 -41.85 16.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.723 ' N ' HD13 ' A' ' 67' ' ' LEU . 29.2 mmtt -65.2 -50.43 65.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.417 ' O ' HG22 ' A' ' 73' ' ' VAL . 5.2 ttmt -43.35 -25.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 89.9 m -69.64 -47.14 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.75 -15.14 60.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.14 -53.9 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.699 HG11 ' O ' ' A' ' 11' ' ' VAL . 22.6 m -53.12 -42.4 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 160.25 -34.75 0.43 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.512 ' SD ' HG21 ' A' ' 26' ' ' THR . 28.3 mtp -34.69 126.7 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -109.23 144.52 37.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.84 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.616 ' HD2' HG13 ' A' ' 38' ' ' VAL . 29.9 mtm180 -73.56 -43.86 58.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -42.05 -35.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.83 -47.11 55.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.148 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.434 HG21 HG11 ' A' ' 38' ' ' VAL . 87.9 t -41.41 -54.56 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -107.89 133.15 52.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.1 ptt-85 -96.91 117.29 30.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 129.82 67.25 0.11 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 59.6 p -51.71 174.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.934 0.397 . . . . 0.0 110.817 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 154.88 -161.76 30.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 130.23 19.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.671 2.247 . . . . 0.0 112.341 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.5 t -116.85 122.06 43.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.4 t -42.07 126.86 3.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.19 -0.783 . . . . 0.0 112.497 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 m -69.84 89.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.831 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 m -101.79 84.34 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.46 105.49 1.24 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -130.09 151.48 50.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.877 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p 40.49 45.06 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.27 163.89 19.07 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.515 HD13 ' CE1' ' A' ' 25' ' ' PHE . 9.4 mt -85.62 147.88 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.776 0.322 . . . . 0.0 111.138 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -105.83 169.79 8.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.484 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.2 t -83.08 123.81 29.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.528 ' O ' HG11 ' A' ' 73' ' ' VAL . 16.4 m -75.43 7.43 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.9 t -111.86 -52.39 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.7 p -116.26 -17.49 10.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 96.85 -6.5 64.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 10' ' ' CYS . 38.6 t0 -63.91 144.29 57.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.903 0.382 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -45.47 106.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 t -62.4 140.58 58.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 t -82.35 -20.07 38.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.44 -169.05 39.07 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 8.2 ttmm -87.71 83.68 7.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.836 0.351 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -95.37 121.2 36.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.621 ' CE1' HG22 ' A' ' 80' ' ' VAL . 27.7 m-85 69.85 39.08 1.5 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.15 23.25 69.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -152.31 149.81 29.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.515 ' CE1' HD13 ' A' ' 8' ' ' ILE . 50.2 m-85 -87.11 106.52 17.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.0 p -139.38 153.92 47.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.2 p -72.38 158.59 35.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.34 -38.14 65.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.08 -44.86 92.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 96.9 m -81.05 -37.42 29.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -47.54 -51.81 19.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.9 p -72.2 -50.08 30.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.463 ' HA ' ' NE ' ' A' ' 36' ' ' ARG . 65.0 t80 -49.54 -35.7 21.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.748 ' O ' HG23 ' A' ' 38' ' ' VAL . 47.1 t80 -70.15 -45.53 66.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 37' ' ' SER . 5.9 ttmt -67.65 -61.32 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' NE ' ' HA ' ' A' ' 33' ' ' PHE . 9.1 ptp180 -37.38 -27.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 35' ' ' LYS . 85.4 p -98.39 -33.5 11.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 34' ' ' PHE . 55.1 t -77.28 -56.39 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.444 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -59.72 -29.95 68.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -92.77 -21.44 19.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.0 t30 70.85 43.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.3 mt -83.8 169.49 15.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.5 m -154.44 112.88 3.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -94.56 163.33 13.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.6 t -107.82 132.18 53.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.5 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 34.9 t -84.03 115.56 22.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -81.5 23.14 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.454 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . . . -144.16 -175.04 4.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -77.48 41.93 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.518 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 77.9 mtm180 40.72 34.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -126.65 16.01 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.454 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 8.7 m -56.31 126.96 70.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.64 0.733 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 87.64 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.672 HG23 ' OE1' ' A' ' 61' ' ' GLN . 45.2 mm -69.65 98.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.48 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 2.4 t70 -123.09 178.71 4.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.2 tp60 -90.99 -44.33 9.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -38.38 -58.56 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.822 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -78.4 144.45 35.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -91.91 -64.24 1.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -69.82 88.88 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.672 ' OE1' HG23 ' A' ' 54' ' ' ILE . 4.5 pt20 -114.42 155.04 27.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 45.3 t -38.27 149.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -89.28 -54.42 4.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.528 ' CE2' ' HG3' ' A' ' 68' ' ' LYS . 1.4 t80 -58.65 -60.29 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.511 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 51.6 m -46.8 -54.28 10.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.44 ' HB2' HD12 ' A' ' 54' ' ' ILE . 54.8 ttt180 -56.22 -50.06 72.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.742 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -56.63 -57.59 11.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.608 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.1 mmmp? -54.24 -49.68 68.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 68' ' ' LYS . 1.7 ttmt -38.36 -26.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' LYS . 68.8 m -70.35 -51.4 30.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 23.6 mt -67.12 -9.86 44.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.0 -57.95 2.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.528 HG11 ' O ' ' A' ' 11' ' ' VAL . 30.8 m -50.05 -33.78 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 148.85 -30.93 1.23 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 69.8 mtp -38.13 124.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.745 0.307 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.442 ' CZ ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 ptm180 -104.62 142.6 34.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -73.68 -36.8 65.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.442 ' HG3' ' CZ ' ' A' ' 76' ' ' ARG . 6.4 pt-20 -52.59 -25.59 11.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.31 -34.43 59.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.664 ' O ' HG12 ' A' ' 80' ' ' VAL . 79.7 t -74.51 65.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.54 ' O ' ' NE2' ' A' ' 81' ' ' GLN . 1.4 pp0? -178.97 138.39 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 59.4 mmt-85 -67.63 141.0 56.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 175.32 76.0 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 85' ' ' GLY . 1.4 t -40.67 -60.87 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.96 0.41 . . . . 0.0 110.871 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' SER . . . 37.01 83.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -2.12 9.66 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.266 . . . . 0.0 112.362 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.6 p -107.51 134.84 49.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.8 m -81.56 42.71 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.466 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.8 p -159.28 155.44 26.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 m -106.26 114.67 28.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.55 106.58 0.28 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.425 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 m -61.76 107.75 0.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -126.45 141.64 51.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.59 -168.44 15.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.471 HG21 ' CG ' ' A' ' 25' ' ' PHE . 7.8 mt -87.86 146.17 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 111.115 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.8 mp0 -106.88 166.15 10.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.7 t -77.42 120.66 22.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.5 m -71.28 3.19 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.403 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 57.8 t -106.9 -54.2 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.174 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.442 ' HB2' ' CA ' ' A' ' 56' ' ' GLN . 26.7 p -114.21 -17.58 11.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 96.5 -5.35 64.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 10' ' ' CYS . 36.6 t0 -64.41 141.16 58.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.927 0.394 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -43.93 107.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.3 t -67.51 140.42 57.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.9 t -80.04 -21.79 43.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.26 -176.6 38.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.414 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 18.9 ttmt -72.42 96.29 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.33 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -106.26 119.32 38.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 67.15 36.75 3.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.45 12.05 80.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -146.74 148.21 31.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.867 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.471 ' CG ' HG21 ' A' ' 8' ' ' ILE . 57.0 m-85 -83.3 107.81 16.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.1 p -138.88 144.9 39.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.9 p -61.54 175.15 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -72.26 -29.46 63.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.41 -38.93 95.45 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 77.1 m -87.39 -39.89 14.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.91 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -42.86 -49.2 5.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.8 m -75.77 -46.54 30.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.785 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -48.96 -31.65 7.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.488 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 71.9 t80 -75.4 -52.74 10.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.405 ' C ' ' N ' ' A' ' 37' ' ' SER . 43.1 tttt -61.22 -58.58 7.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -43.98 -23.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 35' ' ' LYS . 52.3 p -98.27 -34.68 10.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.488 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 17.9 t -78.98 -55.34 9.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.498 ' NE ' ' HG2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -53.95 -34.51 59.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.524 ' HE ' HD11 ' A' ' 42' ' ' LEU . 22.2 mtm180 -95.27 -16.4 22.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 m120 66.11 42.22 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.524 HD11 ' HE ' ' A' ' 40' ' ' ARG . 14.5 mt -73.28 142.82 47.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.8 m -120.33 113.59 20.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.527 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 25.5 m-85 -93.95 151.65 19.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 46' ' ' CYS . 94.1 m -115.35 85.51 2.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.564 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 40.7 t -37.05 114.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -77.96 11.91 2.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.441 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . . . -132.55 -173.16 3.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -80.08 39.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.424 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 48.6 mtm-85 44.84 35.79 1.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -125.87 18.02 7.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.441 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 7.8 m -62.87 128.48 92.08 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.622 0.725 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 98.92 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.307 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.6 mm -82.19 86.24 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -124.4 153.97 41.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.442 ' CA ' ' HB2' ' A' ' 13' ' ' CYS . 31.4 tp60 -66.1 -47.8 73.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 56' ' ' GLN . 49.8 m-70 -35.89 -48.36 0.57 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -81.08 140.23 35.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.467 ' HD3' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -81.03 -42.41 21.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.467 ' N ' ' HD3' ' A' ' 59' ' ' ARG . 40.8 t30 -90.35 114.31 26.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -124.51 127.8 47.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.8 t -38.8 134.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.527 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 28.5 mm100 -63.96 -62.37 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.564 ' CD2' ' HB2' ' A' ' 46' ' ' CYS . 14.1 t80 -52.62 -72.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.541 ' N ' ' CD2' ' A' ' 64' ' ' TYR . 61.5 m -37.24 -60.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 51.0 ttt180 -48.12 -53.78 15.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.01 -56.94 14.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.539 ' HG3' ' CZ ' ' A' ' 64' ' ' TYR . 19.1 mmtp -49.74 -49.55 47.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.439 ' O ' HG22 ' A' ' 73' ' ' VAL . 1.2 ttmt -42.99 -27.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 68.2 m -71.16 -54.25 11.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.65 -7.95 17.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -95.04 -59.2 1.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.826 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.461 ' N ' ' HD3' ' A' ' 72' ' ' LYS . 16.8 m -48.36 -39.61 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 154.48 -27.29 0.68 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.447 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 31.2 mmm -42.44 128.14 3.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.794 0.331 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.45 ' HD2' ' CG ' ' A' ' 78' ' ' GLU . 29.1 ptt180 -107.11 146.26 31.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.441 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 16.5 mtp-105 -76.4 -48.88 18.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.45 ' CG ' ' HD2' ' A' ' 76' ' ' ARG . 8.5 pt-20 -36.81 -43.93 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.22 -53.95 46.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 99.5 t -42.71 -38.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -128.63 87.6 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.3 mtt85 -47.71 173.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -139.68 -46.76 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.499 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.7 m -54.07 -61.57 2.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.25 145.6 19.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.525 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -37.48 9.08 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.241 . . . . 0.0 112.364 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.9 p -172.73 119.01 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.5 p -60.36 -46.06 91.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.489 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.622 HD13 ' CD1' ' A' ' 25' ' ' PHE . 56.9 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.775 0.321 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.431 ' N ' HG22 ' A' ' 8' ' ' ILE . 35.0 mt-10 -112.88 159.96 18.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.7 t -76.32 118.51 19.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.1 m -68.96 1.14 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.0 t -105.28 -52.08 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.1 p -117.99 -15.33 9.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 10' ' ' CYS . . . 98.17 -20.13 51.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 10' ' ' CYS . 36.0 t0 -49.81 139.59 13.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -43.39 103.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.8 t -53.57 136.93 37.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.4 p -89.57 28.27 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.75 163.3 17.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 30.9 ttmt -63.29 102.2 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.329 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -113.06 130.47 56.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.469 ' CE1' HG22 ' A' ' 80' ' ' VAL . 41.8 m-85 64.77 25.67 12.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.45 -23.71 28.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -118.31 156.27 29.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.622 ' CD1' HD13 ' A' ' 8' ' ' ILE . 70.0 m-85 -81.92 111.62 18.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.715 HG21 ' SD ' ' A' ' 75' ' ' MET . 45.4 p -137.0 152.27 49.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.179 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.5 p -71.34 177.56 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -71.77 -29.27 64.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.85 -47.87 81.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.537 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 54.5 m -83.48 -28.99 28.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.933 0.397 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.487 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -52.29 -48.31 65.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.487 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 53.6 p -79.52 -41.36 27.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.45 ' CE2' ' HG2' ' A' ' 66' ' ' ARG . 68.1 t80 -56.16 -30.67 62.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.819 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.609 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 60.6 t80 -74.37 -49.28 23.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.542 ' O ' ' N ' ' A' ' 37' ' ' SER . 20.5 tttt -63.8 -63.56 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 35' ' ' LYS . 1.2 ptp180 -34.89 -30.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 35' ' ' LYS . 9.3 p -93.75 -46.5 7.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.72 HG11 HG21 ' A' ' 80' ' ' VAL . 40.0 t -63.93 -61.16 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.427 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -55.28 -27.23 45.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 66.8 mtp180 -91.25 -16.99 26.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 66.48 42.12 2.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 37' ' ' SER . 19.1 mt -80.75 175.37 10.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 51.3 m -161.25 105.66 1.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -91.53 150.87 21.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.5 m -112.81 101.68 9.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.441 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 40.0 t -58.21 107.52 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -62.45 -7.79 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -104.01 -172.58 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -81.11 31.35 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.535 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 86.7 mtt180 50.44 38.22 17.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.39 19.42 8.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.6 m -64.76 130.74 94.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.604 0.716 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 101.61 0.93 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.7 2.267 . . . . 0.0 112.314 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.465 HD12 ' HB2' ' A' ' 66' ' ' ARG . 49.5 mm -86.91 82.04 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -107.31 -178.21 3.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.963 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 46.0 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.76 0.314 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -99.14 -55.39 2.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.535 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 1.4 t80 -57.0 -47.57 80.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.9 m -60.5 -53.47 57.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.465 ' HB2' HD12 ' A' ' 54' ' ' ILE . 52.7 ttt180 -57.39 -48.19 79.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.728 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -61.9 -49.22 77.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.561 ' N ' HD13 ' A' ' 67' ' ' LEU . 33.2 mmtm -58.63 -52.12 67.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.44 ' O ' HG22 ' A' ' 73' ' ' VAL . 5.2 ttmt -37.68 -28.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' LYS . 64.9 m -65.06 -51.74 59.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.39 -14.69 63.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -86.7 -58.08 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 69' ' ' LYS . 28.4 m -53.03 -40.23 36.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 155.78 -33.34 0.62 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.545 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.715 ' SD ' HG21 ' A' ' 26' ' ' THR . 65.2 mtp -34.75 124.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -103.13 143.44 32.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 78' ' ' GLU . 61.7 mtt180 -74.86 -45.96 39.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 77' ' ' ARG . 14.6 pt-20 -36.77 -46.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 80' ' ' VAL . . . -56.88 -51.56 68.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.079 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.72 HG21 HG11 ' A' ' 38' ' ' VAL . 93.8 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.467 HD13 ' CE1' ' A' ' 25' ' ' PHE . 17.9 mt . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.775 0.322 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -108.21 162.26 14.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' ASP . 43.5 t -76.69 126.19 30.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.74 ' O ' HG11 ' A' ' 73' ' ' VAL . 12.5 m -76.59 9.08 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.3 t -114.9 -54.3 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.0 p -113.52 -16.65 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.83 -11.12 66.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 10' ' ' CYS . 27.2 t70 -58.58 141.48 52.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.369 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -44.65 103.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.6 t -57.1 144.1 35.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.8 p -96.51 23.36 6.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.04 162.04 12.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 8.5 tppt? -63.54 112.64 2.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -120.88 123.9 43.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 65.45 40.14 4.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.49 15.27 70.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.451 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.476 ' HG3' HG21 ' A' ' 11' ' ' VAL . 5.0 tp-100 -152.33 137.46 17.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.595 ' O ' HG22 ' A' ' 11' ' ' VAL . 48.0 m-85 -74.33 115.58 14.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.1 p -145.15 147.04 32.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.7 p -65.05 168.09 7.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -65.56 -25.15 67.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.27 -40.24 81.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.494 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.5 m -88.78 -28.22 20.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -57.44 -42.91 83.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.475 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 20.6 t -84.21 -37.52 21.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -62.8 -34.47 77.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.534 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 58.9 t80 -69.26 -44.22 72.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.526 ' O ' ' N ' ' A' ' 37' ' ' SER . 15.3 tttp -68.85 -64.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' LYS . 2.8 ptp180 -34.83 -30.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 35' ' ' LYS . 16.8 p -92.47 -42.91 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.705 HG13 ' HE ' ' A' ' 77' ' ' ARG . 35.1 t -69.23 -62.04 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.439 ' NH1' ' HE3' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -52.78 -26.2 13.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.456 ' HB3' HD21 ' A' ' 42' ' ' LEU . 67.9 mtt180 -92.17 -21.46 20.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 73.79 33.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 37' ' ' SER . 13.5 mt -72.19 173.15 8.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.2 m -161.6 105.65 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -89.0 142.72 27.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.5 m -102.5 108.78 20.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.136 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.483 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 17.9 t -78.88 93.17 4.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -52.08 -16.06 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.483 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . . . -85.67 -171.74 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -80.16 31.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.483 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 49.6 mtm180 41.65 32.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -122.45 17.95 10.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.9 m -58.73 130.5 85.59 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.656 0.741 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 98.98 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.413 HD12 ' HB2' ' A' ' 66' ' ' ARG . 48.2 mm -83.76 98.4 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -121.71 -179.87 4.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.405 ' CD ' ' O ' ' A' ' 56' ' ' GLN . 2.4 tp-100 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 39.1 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.791 0.329 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -83.1 -50.84 8.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.483 ' CE2' ' HG2' ' A' ' 50' ' ' ARG . 25.0 t80 -59.08 -59.26 5.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.966 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 56.5 m -51.68 -48.94 63.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.413 ' HB2' HD12 ' A' ' 54' ' ' ILE . 44.3 ttt180 -59.61 -56.19 24.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.825 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -53.33 -48.63 68.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.647 ' N ' HD13 ' A' ' 67' ' ' LEU . 23.9 mmmt -61.31 -48.81 79.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.492 ' O ' HG13 ' A' ' 73' ' ' VAL . 4.6 ttmt -39.05 -25.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 68' ' ' LYS . 72.5 m -69.25 -52.38 28.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.479 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 10.1 mt -63.66 -20.81 66.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -82.9 -53.14 6.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.74 HG11 ' O ' ' A' ' 11' ' ' VAL . 22.3 m -53.51 -31.8 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.475 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 146.39 -35.44 1.33 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.442 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.475 ' C ' ' O ' ' A' ' 74' ' ' GLY . 34.4 mmm -32.52 139.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.442 ' HE ' ' CG ' ' A' ' 78' ' ' GLU . 4.6 ptm180 -109.69 150.69 27.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.705 ' HE ' HG13 ' A' ' 38' ' ' VAL . 69.3 mtp180 -88.04 -36.44 16.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.442 ' CG ' ' HE ' ' A' ' 76' ' ' ARG . 11.7 pt-20 -54.12 -40.03 66.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.31 89.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.431 ' CG1' ' HB3' ' A' ' 39' ' ' ARG . 71.5 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.516 HD13 ' CE1' ' A' ' 25' ' ' PHE . 13.7 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.789 0.328 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.422 ' N ' HG22 ' A' ' 8' ' ' ILE . 2.4 pt-20 -119.6 168.17 11.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 15' ' ' ASP . 44.6 t -83.89 123.47 29.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.655 ' O ' HG11 ' A' ' 73' ' ' VAL . 18.4 m -73.89 7.14 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.402 HG13 ' HG2' ' A' ' 69' ' ' LYS . 97.7 t -113.27 -53.59 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.1 p -114.31 -14.89 12.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 94.28 -9.86 71.83 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.54 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 10' ' ' CYS . 10.3 t70 -59.16 140.06 56.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -44.98 107.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 t -63.72 148.23 49.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 m -89.52 -19.46 25.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 166.09 -167.22 39.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.539 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 16.6 ttmt -86.23 80.03 8.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.753 0.311 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -90.24 117.49 29.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 68.93 40.66 1.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.973 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.41 18.53 61.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.439 ' HG3' HG21 ' A' ' 11' ' ' VAL . 5.6 tp-100 -148.47 137.41 21.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.539 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 46.8 m-85 -75.34 105.44 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.621 HG21 ' SD ' ' A' ' 75' ' ' MET . 30.8 p -138.38 149.24 45.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.0 p -67.28 170.4 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -67.89 -25.69 65.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.06 -45.47 87.14 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.8 m -84.91 -29.19 25.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -56.44 -46.68 80.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.466 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 3.3 t -79.83 -35.53 38.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -64.92 -29.6 70.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.94 ' O ' HG23 ' A' ' 38' ' ' VAL . 37.0 t80 -74.09 -47.51 35.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 38' ' ' VAL . 35.7 tttp -65.31 -63.45 1.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' LYS . 11.1 ptp180 -35.85 -30.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 35' ' ' LYS . 92.3 p -95.89 -35.41 11.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.94 HG23 ' O ' ' A' ' 34' ' ' PHE . 87.1 t -74.64 -62.13 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.433 ' HD3' ' C ' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -54.87 -26.91 38.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.664 ' HB3' HD21 ' A' ' 42' ' ' LEU . 83.9 mtt180 -91.76 -18.17 24.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 66.1 t30 65.58 41.42 4.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 40' ' ' ARG . 12.1 mt -79.36 153.42 29.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.2 m -134.59 100.95 4.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 63' ' ' GLN . 10.2 m-85 -82.08 157.78 23.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.6 m -118.77 103.44 9.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.102 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.5 t -69.04 97.5 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -54.42 -14.43 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.48 -173.24 3.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -81.13 28.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.494 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 28.8 mtm-85 51.19 37.81 19.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -126.67 19.26 7.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.9 m -61.41 130.42 91.82 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.616 0.722 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 106.03 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.715 2.277 . . . . 0.0 112.332 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.47 HD12 ' HB2' ' A' ' 66' ' ' ARG . 52.1 mm -89.76 95.44 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.74 -174.92 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.942 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 53.2 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.776 0.322 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.431 ' HB3' ' CD2' ' A' ' 44' ' ' TYR . 34.9 mt-30 -88.61 -61.36 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.494 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 8.5 t80 -50.48 -53.19 31.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.955 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.7 m -54.72 -62.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.47 ' HB2' HD12 ' A' ' 54' ' ' ILE . 45.1 ttt180 -48.16 -51.72 23.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 tp -55.85 -57.49 11.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -48.26 -50.16 30.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.463 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -42.66 -26.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 62.0 m -69.74 -46.58 65.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 32.3 mt -70.28 -15.54 62.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.409 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 8.2 tmtm? -89.62 -56.78 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.655 HG11 ' O ' ' A' ' 11' ' ' VAL . 29.6 m -50.47 -38.34 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 154.67 -32.9 0.69 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.621 ' SD ' HG21 ' A' ' 26' ' ' THR . 29.2 mtp -39.84 117.78 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -102.1 136.07 42.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -61.36 -45.3 94.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -43.99 -32.37 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.59 -51.84 56.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.439 HG21 ' CB ' ' A' ' 38' ' ' VAL . 99.5 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 17' ' ' SER . 14.2 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.793 0.33 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 14' ' ' GLY . 67.1 mm-40 -103.12 167.27 9.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.507 ' N ' ' O ' ' A' ' 15' ' ' ASP . 44.3 t -83.03 124.55 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.621 ' O ' HG11 ' A' ' 73' ' ' VAL . 19.1 m -74.95 7.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 68.8 t -113.54 -51.97 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.2 p -117.49 -15.6 10.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.402 ' O ' ' OE1' ' A' ' 9' ' ' GLU . . . 97.68 -15.6 61.66 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 10' ' ' CYS . 15.2 t0 -53.38 141.39 24.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.444 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 1.2 tppp? -46.75 103.38 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 8' ' ' ILE . 14.4 t -54.72 148.5 12.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.2 t -92.33 -21.83 20.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 169.64 -171.17 43.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -86.3 78.66 9.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -87.77 133.45 33.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 54.62 37.54 28.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.74 24.55 71.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.437 ' HG3' HG21 ' A' ' 11' ' ' VAL . 3.9 tp-100 -152.0 138.64 18.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.935 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -75.72 108.69 8.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.9 p -140.81 155.68 46.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 22.1 p -72.34 175.2 6.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -72.17 -26.79 62.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.69 -40.16 90.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.4 m -86.67 -35.91 19.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -44.37 -50.44 9.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.7 m -77.16 -45.09 27.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -49.93 -37.12 30.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.535 ' O ' HG23 ' A' ' 38' ' ' VAL . 54.8 t80 -70.31 -46.63 63.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 37' ' ' SER . 12.5 ttpt -69.47 -65.34 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -36.15 -30.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 35' ' ' LYS . 77.9 p -91.55 -43.31 9.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 34' ' ' PHE . 42.0 t -70.64 -59.2 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.433 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -54.28 -24.66 19.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.415 ' HB3' HD21 ' A' ' 42' ' ' LEU . 31.2 mtp85 -97.78 -19.12 18.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 69.67 34.21 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' A' ' 40' ' ' ARG . 20.0 mt -68.5 149.18 49.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.6 m -133.21 88.5 2.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.455 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 9.6 m-85 -69.37 175.48 3.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.7 m -137.87 106.38 5.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 36.1 t -70.12 106.88 3.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -67.11 -4.03 8.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.03 -171.03 1.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -79.3 24.29 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.404 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 67.0 mtp180 53.98 33.89 18.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -124.85 21.08 8.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.9 m -60.09 127.87 86.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.655 0.741 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 84.97 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.9 mm -64.5 91.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -132.09 154.51 49.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.423 ' CA ' ' OE1' ' A' ' 56' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 66' ' ' ARG . 13.8 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.78 0.324 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.455 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 81.6 mt-30 -57.67 -68.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.421 ' CD2' ' N ' ' A' ' 65' ' ' CYS . 28.3 t80 -49.12 -73.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.421 ' N ' ' CD2' ' A' ' 64' ' ' TYR . 65.2 m -37.92 -55.69 1.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.472 ' CB ' ' O ' ' A' ' 62' ' ' CYS . 1.5 tpt180 -49.91 -54.9 16.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.3 tp -53.06 -54.67 32.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm -51.16 -46.42 62.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.698 ' O ' HG13 ' A' ' 73' ' ' VAL . 2.6 ttmt -50.84 -22.49 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.502 ' O ' HG22 ' A' ' 73' ' ' VAL . 62.0 m -74.45 -56.29 5.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.1 mt -63.4 -19.09 64.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -82.28 -53.4 6.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 69' ' ' LYS . 35.8 m -55.57 -20.23 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 136.05 -37.31 1.91 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.461 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 74' ' ' GLY . 73.0 mtp -33.37 119.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.2 ptt85 -103.21 137.6 41.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 78' ' ' GLU . 36.5 mtt180 -63.73 -46.62 84.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' ARG . 2.0 pm0 -37.23 -42.79 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 80' ' ' VAL . . . -58.86 -53.21 60.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 79' ' ' ALA . 97.8 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.696 ' CD1' ' CE1' ' A' ' 25' ' ' PHE . 9.1 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.804 0.335 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.2 mp0 -107.83 165.32 11.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.799 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.6 t -79.14 124.17 28.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.673 ' O ' HG11 ' A' ' 73' ' ' VAL . 27.4 m -75.06 7.15 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.0 t -112.07 -55.7 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.6 p -112.14 -16.93 12.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 96.19 -6.32 66.16 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.512 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 10' ' ' CYS . 33.6 t70 -62.63 141.28 58.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.81 104.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 t -63.56 131.12 47.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 t -74.99 -22.37 58.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 165.79 163.98 20.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.481 ' HE2' ' CE2' ' A' ' 25' ' ' PHE . 6.2 tppt? -61.74 109.9 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -120.03 128.47 53.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 66.01 31.76 8.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.06 13.99 83.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.452 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -152.1 141.6 21.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.696 ' CE1' ' CD1' ' A' ' 8' ' ' ILE . 65.5 m-85 -74.52 112.13 10.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.519 HG21 ' SD ' ' A' ' 75' ' ' MET . 49.5 p -144.36 139.55 28.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.2 p -55.73 168.66 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.3 -19.94 63.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.57 -39.65 55.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 77.9 m -87.49 -31.08 20.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 0.0 110.923 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -55.05 -52.53 62.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.4 m -74.2 -42.98 58.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.46 ' HA ' ' NE ' ' A' ' 36' ' ' ARG . 28.4 t80 -59.23 -28.78 67.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.483 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 44.9 t80 -73.97 -46.03 46.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 37' ' ' SER . 51.5 tttt -68.94 -60.09 2.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.46 ' NE ' ' HA ' ' A' ' 33' ' ' PHE . 8.3 ptp180 -36.13 -28.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -96.58 -44.38 7.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.772 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.654 HG13 ' HE ' ' A' ' 77' ' ' ARG . 35.1 t -65.23 -62.68 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.421 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -54.59 -27.21 37.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.494 ' HB3' HD21 ' A' ' 42' ' ' LEU . 30.4 mtp180 -90.12 -14.0 34.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 m120 63.82 54.85 1.72 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 40' ' ' ARG . 13.1 mt -94.9 164.04 13.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.9 m -146.76 104.98 3.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.534 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 42.7 m-85 -83.97 144.75 28.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.0 m -108.21 89.09 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.169 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.537 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 41.9 t -43.57 116.14 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.44 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 3.2 tpm_? -78.72 14.66 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.417 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . . . -133.72 -172.51 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -79.38 41.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.522 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 62.7 mtm180 41.9 38.46 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -127.02 13.18 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 9.8 m -58.11 131.56 83.84 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.643 0.735 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 106.3 1.63 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.311 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.515 HD12 ' HB2' ' A' ' 66' ' ' ARG . 43.4 mm -95.62 82.74 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.0 p30 -115.34 166.14 12.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.92 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 48.6 t . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.797 0.332 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.534 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 16.7 mt-30 -92.46 -49.9 5.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.537 ' CD1' ' HB2' ' A' ' 46' ' ' CYS . 1.7 t80 -61.17 -55.99 25.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.423 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 51.6 m -51.17 -49.59 60.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.515 ' HB2' HD12 ' A' ' 54' ' ' ILE . 64.9 ttt180 -62.65 -65.35 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.808 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -45.56 -46.15 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.586 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.3 mmmp? -62.63 -49.8 73.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.434 ' O ' HG13 ' A' ' 73' ' ' VAL . 5.8 ttmt -38.87 -26.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 68' ' ' LYS . 75.0 m -67.45 -48.98 65.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.401 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 15.7 mt -69.31 -17.84 63.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -84.75 -56.42 3.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.673 HG11 ' O ' ' A' ' 11' ' ' VAL . 27.6 m -52.18 -41.49 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.422 ' N ' HG23 ' A' ' 73' ' ' VAL . . . 158.64 -31.5 0.47 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.448 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.519 ' SD ' HG21 ' A' ' 26' ' ' THR . 29.3 mtp -39.98 124.23 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -105.5 139.06 40.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.654 ' HE ' HG13 ' A' ' 38' ' ' VAL . 78.8 mtp180 -68.04 -36.18 79.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -57.28 -29.52 63.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.83 -27.25 61.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 81.7 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.6 mt . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.788 0.328 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -106.06 168.88 8.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 15' ' ' ASP . 47.8 t -83.97 127.84 34.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.703 ' O ' HG11 ' A' ' 73' ' ' VAL . 24.7 m -76.25 9.53 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 66.9 t -115.93 -55.1 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.422 ' HB2' ' CA ' ' A' ' 56' ' ' GLN . 28.9 p -114.6 -14.34 12.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.31 -17.77 58.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 10' ' ' CYS . 17.5 t70 -50.41 139.71 14.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -44.82 102.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.2 t -55.02 139.54 40.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 t -82.52 -23.04 34.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 165.94 -173.78 41.54 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -82.03 84.25 7.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -98.09 122.18 40.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.49 ' CE1' HG22 ' A' ' 80' ' ' VAL . 41.3 m-85 68.22 42.21 1.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.58 19.49 60.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -151.95 145.37 24.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -81.65 113.83 19.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.2 p -143.77 147.65 34.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.177 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.5 p -64.42 175.27 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -70.16 -30.44 67.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.87 -44.2 94.99 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 69.2 m -83.01 -37.21 24.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.934 0.397 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -46.01 -52.71 11.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.3 m -75.16 -45.1 42.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.416 ' CE2' ' HG2' ' A' ' 66' ' ' ARG . 82.5 t80 -52.23 -34.6 46.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.622 ' CD2' ' HE3' ' A' ' 75' ' ' MET . 57.9 t80 -69.53 -47.36 64.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 38' ' ' VAL . 28.3 tttt -69.33 -60.2 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.82 -26.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 35' ' ' LYS . 40.4 p -96.7 -30.57 13.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.547 HG13 ' HE ' ' A' ' 77' ' ' ARG . 6.2 t -83.76 -59.86 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.462 ' HG2' ' CG ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -55.56 -21.47 17.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.689 ' HB3' HD21 ' A' ' 42' ' ' LEU . 39.1 mtp180 -99.04 -13.4 19.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.5 m120 63.98 42.36 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 40' ' ' ARG . 11.2 mt -84.64 166.23 17.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.4 m -151.59 118.78 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.526 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 7.2 m-85 -100.5 154.47 18.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 45' ' ' THR . 3.0 t -106.22 119.15 38.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.522 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 27.5 t -69.82 114.91 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.0 mtm-85 -81.81 24.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.534 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . . . -146.9 -174.98 4.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -77.6 41.76 0.34 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 42.24 38.36 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.817 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.431 ' C ' ' OD1' ' A' ' 51' ' ' ASN . 9.6 p30 -128.55 13.53 6.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.534 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 4.5 m -58.54 133.29 85.65 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.734 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 103.33 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.504 HD12 ' HB2' ' A' ' 66' ' ' ARG . 34.4 mm -92.2 81.46 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -113.55 -179.63 3.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.422 ' CA ' ' HB2' ' A' ' 13' ' ' CYS . 2.7 tp-100 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 46.0 t . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.777 0.322 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.526 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 19.8 mt-30 -86.3 -53.71 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.522 ' CD1' ' HB2' ' A' ' 46' ' ' CYS . 3.9 t80 -56.59 -59.25 5.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.415 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 41.6 m -47.4 -49.88 23.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.504 ' HB2' HD12 ' A' ' 54' ' ' ILE . 57.7 ttt180 -62.01 -64.8 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.874 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -46.18 -39.87 10.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.658 ' N ' HD13 ' A' ' 67' ' ' LEU . 20.5 mmtp -69.57 -50.55 43.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.476 ' O ' HG13 ' A' ' 73' ' ' VAL . 4.5 ttmt -38.05 -28.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.469 ' N ' ' O ' ' A' ' 68' ' ' LYS . 59.2 m -66.26 -51.77 54.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.8 mt -67.17 -14.99 63.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.01 -53.54 4.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.703 HG11 ' O ' ' A' ' 11' ' ' VAL . 27.7 m -54.22 -39.08 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 155.93 -35.07 0.62 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.622 ' HE3' ' CD2' ' A' ' 34' ' ' PHE . 39.3 mmm -33.62 135.69 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.74 0.305 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -114.74 134.25 55.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.547 ' HE ' HG13 ' A' ' 38' ' ' VAL . 72.0 mtp180 -68.06 -43.35 78.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -42.82 -45.03 4.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.48 -46.96 76.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.49 HG22 ' CE1' ' A' ' 22' ' ' TYR . 59.3 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.499 ' CD1' ' CE1' ' A' ' 25' ' ' PHE . 51.4 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.783 0.325 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.409 ' N ' HG22 ' A' ' 8' ' ' ILE . 20.3 mp0 -109.86 160.49 16.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.509 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.7 t -77.33 121.34 23.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.471 ' O ' HG11 ' A' ' 73' ' ' VAL . 29.4 m -70.55 3.04 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.408 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 93.4 t -108.51 -53.35 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 56' ' ' GLN . 29.0 p -116.63 -13.43 10.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 10' ' ' CYS . . . 95.55 -16.33 61.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 10' ' ' CYS . 47.0 t0 -51.41 138.0 22.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.875 0.369 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -42.92 97.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.2 t -47.23 139.54 6.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.407 ' HB3' ' CD ' ' A' ' 28' ' ' GLU . 59.8 p -90.59 22.5 3.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.43 178.42 19.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.581 ' HE3' ' CD1' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -66.55 113.17 4.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.428 ' NE2' ' HD3' ' A' ' 31' ' ' LYS . 5.0 m-70 -125.01 126.02 44.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.53 ' CE1' HG22 ' A' ' 80' ' ' VAL . 39.3 m-85 57.95 32.84 22.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.87 14.72 82.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.407 ' HA ' ' HZ3' ' A' ' 20' ' ' LYS . 5.7 tp-100 -152.02 137.4 17.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.581 ' CD1' ' HE3' ' A' ' 20' ' ' LYS . 39.1 m-85 -68.35 116.45 8.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -147.56 149.07 31.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.141 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.6 p -65.67 177.0 1.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' CD ' ' HB3' ' A' ' 18' ' ' SER . 25.0 mp0 -75.52 -25.35 57.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.47 -41.3 90.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 79.6 m -85.25 -39.63 17.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.903 0.382 . . . . 0.0 110.912 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.428 ' HD3' ' NE2' ' A' ' 21' ' ' HIS . 8.4 ttpp -44.83 -46.3 10.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.7 t -80.35 -45.29 18.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.546 ' CE2' ' HG2' ' A' ' 66' ' ' ARG . 72.4 t80 -54.48 -28.72 46.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.639 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 43.9 t80 -74.58 -52.68 11.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 37' ' ' SER . 7.8 ttmt -60.99 -63.04 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 35' ' ' LYS . 5.3 ptp180 -34.75 -31.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 35' ' ' LYS . 74.5 p -93.75 -39.83 10.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.695 HG13 ' HE ' ' A' ' 77' ' ' ARG . 40.5 t -70.23 -61.74 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.087 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.461 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -54.23 -28.4 41.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.6 mtp85 -91.33 -20.9 21.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 68.59 43.74 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 37' ' ' SER . 14.0 mt -81.9 175.63 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.0 m -160.83 105.56 1.39 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -90.66 142.19 28.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.2 m -100.74 99.26 9.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.8 t -59.61 109.16 0.85 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 39.4 tpt85 -61.65 -15.55 40.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.96 -172.04 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.413 ' O ' ' ND2' ' A' ' 51' ' ' ASN . 4.7 m-80 -79.36 34.54 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.446 ' NH1' ' HB2' ' A' ' 50' ' ' ARG . 12.3 mtp-105 42.08 39.7 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 49' ' ' ASN . 79.6 m-20 -131.94 14.98 4.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.6 m -52.65 133.17 46.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.649 0.737 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 87.87 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.364 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.438 HD12 ' HB2' ' A' ' 66' ' ' ARG . 26.1 mm -74.4 105.03 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -139.55 -177.46 4.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 43.2 t . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.762 0.315 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -68.79 -61.04 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.542 ' CZ ' ' HG3' ' A' ' 68' ' ' LYS . 42.2 t80 -53.12 -71.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' TYR . 58.0 m -36.82 -57.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.546 ' HG2' ' CE2' ' A' ' 33' ' ' PHE . 34.9 ttt180 -53.74 -49.85 67.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.805 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -55.95 -50.3 71.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.657 ' N ' HD13 ' A' ' 67' ' ' LEU . 53.2 mmtt -58.96 -50.52 73.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.427 ' O ' HG22 ' A' ' 73' ' ' VAL . 6.0 ttmt -37.53 -27.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 68' ' ' LYS . 82.0 m -67.23 -52.01 46.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.471 HD21 ' CG ' ' A' ' 77' ' ' ARG . 20.9 mt -68.15 -12.74 61.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 7.9 tmtm? -89.94 -56.64 3.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.471 HG11 ' O ' ' A' ' 11' ' ' VAL . 30.5 m -52.83 -38.15 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 152.14 -30.56 0.89 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 74' ' ' GLY . 63.4 mtp -35.72 122.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 79' ' ' ALA . 15.7 ptt85 -100.89 135.1 42.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.695 ' HE ' HG13 ' A' ' 38' ' ' VAL . 69.7 mtp180 -69.47 -44.62 70.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -41.62 -36.2 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 76' ' ' ARG . . . -63.07 -53.66 50.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.53 HG22 ' CE1' ' A' ' 22' ' ' TYR . 92.7 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.0 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.868 0.366 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -110.37 164.11 13.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 15' ' ' ASP . 41.9 t -81.74 121.23 26.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 25' ' ' PHE . 30.4 m -70.24 2.0 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.424 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 57.3 t -106.33 -57.8 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.5 p -112.4 -15.39 13.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 98.2 -15.7 61.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 10' ' ' CYS . 23.2 t70 -51.81 141.02 18.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.895 0.379 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -45.81 99.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.2 t -54.28 137.74 40.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.7 p -80.06 -24.34 40.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 169.87 -169.11 41.9 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HE2' ' CE2' ' A' ' 25' ' ' PHE . 7.0 ttmm -86.78 85.95 7.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.788 0.328 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -96.52 132.08 42.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.442 ' CE1' HG22 ' A' ' 80' ' ' VAL . 30.8 m-85 58.42 41.21 23.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.05 19.77 64.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -152.24 144.3 23.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.945 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.455 ' O ' HG22 ' A' ' 11' ' ' VAL . 58.2 m-85 -79.88 116.29 19.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.437 HG21 ' SD ' ' A' ' 75' ' ' MET . 25.5 p -150.47 139.81 21.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.0 p -55.79 168.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -65.97 -29.0 69.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.66 -44.74 95.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 76.1 m -83.34 -32.34 26.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.476 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -53.88 -50.39 66.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.476 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 47.9 t -76.2 -37.83 57.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -61.64 -33.88 74.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.602 ' O ' HG23 ' A' ' 38' ' ' VAL . 41.3 t80 -70.69 -42.83 70.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 37' ' ' SER . 18.8 tttm -67.47 -65.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' A' ' 37' ' ' SER . 7.0 ptm180 -35.01 -30.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 35' ' ' LYS . 10.1 p -89.16 -47.62 7.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 34' ' ' PHE . 85.8 t -68.04 -62.47 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.442 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -48.42 -28.65 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.481 ' HB3' HD21 ' A' ' 42' ' ' LEU . 44.7 mtp180 -93.53 -21.79 19.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.4 t30 73.83 33.1 1.03 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.481 HD21 ' HB3' ' A' ' 40' ' ' ARG . 15.2 mt -72.81 171.45 12.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.2 m -158.75 105.94 1.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.411 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 2.4 m-85 -90.77 150.37 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.0 t -108.22 131.12 55.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.165 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.1 t -97.02 91.23 5.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -50.2 -17.78 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.27 -173.19 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -82.11 33.36 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.8 mtm180 41.35 43.16 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.494 ' O ' ' CG ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -118.76 1.83 11.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.5 m -45.28 119.3 4.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.634 0.73 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 83.84 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.309 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.599 HD12 ' HB2' ' A' ' 66' ' ' ARG . 38.2 mm -62.04 97.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -131.92 163.06 29.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 -179.893 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 53.9 t . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.793 0.33 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.411 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 12.7 mt-30 -89.81 -54.01 4.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -61.56 -59.57 5.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.403 ' HB2' HD11 ' A' ' 54' ' ' ILE . 88.9 m -49.87 -50.53 45.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.599 ' HB2' HD12 ' A' ' 54' ' ' ILE . 53.4 ttt180 -61.37 -58.13 9.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.7 ' C ' HD13 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -49.59 -45.39 47.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.627 ' N ' HD13 ' A' ' 67' ' ' LEU . 2.9 mmmm -64.16 -49.55 71.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' LYS . 3.1 ttmt -37.08 -28.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 68' ' ' LYS . 79.4 m -66.78 -49.27 66.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.489 HD11 ' NH2' ' A' ' 77' ' ' ARG . 20.8 mt -69.4 -12.28 61.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -90.05 -56.98 3.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.447 ' CG2' ' HG3' ' A' ' 75' ' ' MET . 29.1 m -54.65 -33.64 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 150.15 -34.42 1.01 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.447 ' HG3' ' CG2' ' A' ' 73' ' ' VAL . 46.6 mtp -34.82 110.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.776 0.322 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -95.56 135.4 37.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.489 ' NH2' HD11 ' A' ' 71' ' ' LEU . 59.1 mtt180 -65.82 -44.18 86.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -41.79 -34.29 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.15 -52.33 42.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.074 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.442 HG22 ' CE1' ' A' ' 22' ' ' TYR . 80.7 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.8 mt . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.796 0.331 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -109.02 165.26 11.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.7 t -84.37 123.27 30.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.419 ' O ' HG11 ' A' ' 73' ' ' VAL . 30.6 m -72.25 4.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.5 t -110.34 -54.5 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.3 p -116.55 -12.93 10.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 97.05 -21.99 43.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 10' ' ' CYS . 31.2 t70 -45.33 139.45 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.926 0.394 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -46.15 102.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.3 t -54.24 144.98 18.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.9 t -89.73 -12.76 38.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 157.32 -170.49 34.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.487 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 16.9 ttmt -84.85 78.65 9.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.33 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -88.46 135.53 33.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.796 ' CE1' HG22 ' A' ' 80' ' ' VAL . 25.2 m-85 55.17 34.69 23.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.76 22.37 76.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -152.05 144.81 24.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.909 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.512 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 46.4 m-85 -79.37 110.9 15.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.6 p -143.86 160.28 41.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.9 p -76.08 177.54 7.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -73.82 -28.61 61.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.27 -40.5 94.75 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 76.4 m -86.24 -37.26 18.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -47.39 -53.59 13.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.0 t -75.29 -46.18 35.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.542 ' CE2' ' HD3' ' A' ' 66' ' ' ARG . 61.8 t80 -50.12 -33.2 18.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.745 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 43.5 t80 -74.92 -46.95 32.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.3 ttpm? -64.47 -63.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' LYS . 2.5 ptm180 -38.03 -26.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 35' ' ' LYS . 65.4 p -98.28 -39.35 8.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.745 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 73.0 t -73.94 -57.35 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.473 ' HB3' HG12 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -58.95 -23.87 61.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.416 ' C ' ' OD1' ' A' ' 41' ' ' ASN . 28.8 mtt180 -97.24 -20.55 17.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.416 ' OD1' ' C ' ' A' ' 40' ' ' ARG . 1.1 m120 68.69 54.81 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 37' ' ' SER . 13.4 mt -94.62 177.09 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.3 m -154.23 115.82 4.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -94.96 135.44 36.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 46' ' ' CYS . 21.4 m -98.54 87.59 3.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.508 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 45.4 t -37.83 114.4 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -77.86 11.07 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -129.24 -172.71 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.449 ' O ' ' CG ' ' A' ' 51' ' ' ASN . 17.6 m-80 -79.55 39.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.466 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 67.0 mtp180 40.63 37.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 49' ' ' ASN . 63.4 m-20 -124.68 13.15 8.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.9 m -59.1 127.31 83.68 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.637 0.732 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 89.39 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.73 2.287 . . . . 0.0 112.314 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.736 HD12 ' HB2' ' A' ' 66' ' ' ARG . 50.0 mm -71.38 98.75 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -147.06 160.63 42.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.422 ' OE1' ' O ' ' A' ' 56' ' ' GLN . 2.3 tp-100 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.4 ' HB3' HD11 ' A' ' 54' ' ' ILE . 35.4 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.793 0.33 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -87.52 -47.83 8.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.508 ' CD2' ' HB2' ' A' ' 46' ' ' CYS . 7.2 t80 -66.45 -66.86 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.48 ' N ' ' CD2' ' A' ' 64' ' ' TYR . 81.8 m -40.96 -45.38 2.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.736 ' HB2' HD12 ' A' ' 54' ' ' ILE . 13.8 ttt180 -68.89 -45.1 71.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.78 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -57.75 -48.56 79.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.539 ' N ' HD13 ' A' ' 67' ' ' LEU . 13.4 mmmm -63.19 -50.92 68.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -38.44 -26.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 68' ' ' LYS . 77.6 m -68.77 -48.36 63.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' LYS . 31.4 mt -69.51 -13.9 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.41 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 1.7 tmtp? -87.66 -58.13 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.436 ' CG2' ' HG3' ' A' ' 75' ' ' MET . 28.5 m -50.83 -37.56 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 152.41 -33.42 0.84 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.436 ' HG3' ' CG2' ' A' ' 73' ' ' VAL . 47.2 mtp -35.67 111.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.721 0.296 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -96.56 131.4 43.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.0 mtm180 -57.49 -47.47 81.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -41.25 -40.24 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.33 -50.1 74.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.063 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.796 HG22 ' CE1' ' A' ' 22' ' ' TYR . 55.4 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.596 HD13 ' CE1' ' A' ' 25' ' ' PHE . 39.3 mt . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.744 0.307 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -111.99 166.86 10.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.2 t -81.37 120.61 25.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.457 ' O ' HG11 ' A' ' 73' ' ' VAL . 28.0 m -69.66 1.81 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.413 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 49.7 t -106.11 -55.15 5.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.7 p -112.76 -17.75 12.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 10' ' ' CYS . . . 97.18 -7.01 64.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.473 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 10' ' ' CYS . 21.5 t70 -64.01 139.85 58.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.9 0.381 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.83 104.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.8 t -61.95 141.85 57.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.0 t -82.67 -25.19 33.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.71 167.84 31.64 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 9.9 ttmm -70.71 79.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.571 ' CD2' ' HG3' ' A' ' 31' ' ' LYS . 3.4 t60 -90.01 136.2 33.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.45 ' CE2' ' HD2' ' A' ' 21' ' ' HIS . 35.8 m-85 58.9 46.45 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.19 16.08 47.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 21' ' ' HIS . 5.4 tp-100 -149.88 155.24 39.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.596 ' CE1' HD13 ' A' ' 8' ' ' ILE . 38.2 m-85 -89.83 115.65 27.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.879 HG21 ' SD ' ' A' ' 75' ' ' MET . 80.2 p -140.49 151.84 45.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.5 p -73.07 176.44 5.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -73.15 -18.68 61.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.58 -39.16 30.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.464 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 72.3 m -90.3 -37.74 13.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.919 0.39 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.571 ' HG3' ' CD2' ' A' ' 21' ' ' HIS . 14.5 ttpt -42.47 -45.41 4.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 93.1 p -82.21 -45.47 15.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.41 ' CB ' HH21 ' A' ' 66' ' ' ARG . 62.1 t80 -49.94 -35.09 22.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.827 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.9 ' O ' HG23 ' A' ' 38' ' ' VAL . 53.0 t80 -72.78 -45.89 56.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 36' ' ' ARG . 14.3 ttpt -68.04 -64.29 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.4 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 4.2 ptp180 -39.46 -30.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.7 p -89.15 -41.26 12.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 34' ' ' PHE . 85.2 t -72.9 -60.19 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.495 ' HG3' ' N ' ' A' ' 40' ' ' ARG . 2.0 ptp180 -50.12 -33.98 20.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.495 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 26.7 mtp180 -91.39 -18.08 24.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.831 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.1 m120 67.64 36.13 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.8 mt -67.36 172.64 4.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.5 m -153.46 109.3 3.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.534 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 4.7 m-85 -96.05 155.78 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 45' ' ' THR . 1.9 t -109.37 121.16 44.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.185 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 44.2 t -73.18 117.73 15.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.807 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.2 mtt85 -80.75 19.58 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.594 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . . . -141.64 -174.97 4.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -78.07 42.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 43.61 32.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -124.08 14.98 9.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.594 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 6.3 m -56.26 128.68 73.27 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.647 0.737 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 89.24 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.343 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.423 HD12 ' HB2' ' A' ' 66' ' ' ARG . 42.3 mm -71.35 109.19 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -133.85 177.78 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.929 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 52.4 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.726 0.298 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.534 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 36.1 mt-30 -86.1 -57.5 3.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.509 ' CZ ' ' HG3' ' A' ' 68' ' ' LYS . 18.7 t80 -56.82 -61.5 2.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 57.7 m -47.51 -57.17 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.423 ' HB2' HD12 ' A' ' 54' ' ' ILE . 40.7 ttt180 -49.93 -50.0 47.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.416 ' HG ' ' N ' ' A' ' 68' ' ' LYS . 1.5 tp -58.09 -57.94 10.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.509 ' HG3' ' CZ ' ' A' ' 64' ' ' TYR . 25.2 mmmt -49.77 -49.78 47.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.465 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.6 OUTLIER -39.3 -25.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.483 ' N ' ' O ' ' A' ' 68' ' ' LYS . 56.2 m -75.73 -48.87 20.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' LYS . 39.0 mt -67.58 -9.79 46.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -95.98 -58.28 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 69' ' ' LYS . 24.1 m -48.08 -36.11 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 151.75 -26.1 0.94 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.879 ' SD ' HG21 ' A' ' 26' ' ' THR . 69.0 mtp -50.1 116.99 2.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.747 0.308 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.44 ' HB2' ' CD ' ' A' ' 78' ' ' GLU . 26.6 ptt180 -98.57 160.07 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.496 ' HE ' HG13 ' A' ' 38' ' ' VAL . 40.4 mtp180 -83.49 -47.46 11.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.44 ' CD ' ' HB2' ' A' ' 76' ' ' ARG . 17.0 pm0 -42.58 -28.97 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.54 -51.28 52.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.3 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.537 HD13 ' CE1' ' A' ' 25' ' ' PHE . 18.1 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.728 0.299 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -104.03 168.27 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 15' ' ' ASP . 49.7 t -84.01 127.16 33.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.65 ' O ' HG11 ' A' ' 73' ' ' VAL . 15.9 m -75.83 9.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.4 t -115.53 -57.65 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.6 p -110.33 -16.45 13.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.92 -14.59 62.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.52 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 10' ' ' CYS . 36.8 t0 -55.67 141.82 36.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.919 0.39 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.91 104.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 8' ' ' ILE . 13.6 t -51.48 143.54 11.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.0 p -101.39 29.69 4.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.98 176.59 15.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -89.0 79.34 7.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.793 0.33 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -90.92 128.56 36.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.826 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.529 ' CE1' HG22 ' A' ' 80' ' ' VAL . 25.4 m-85 67.63 38.62 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.02 22.51 62.68 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.507 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.452 ' HG3' HG21 ' A' ' 11' ' ' VAL . 4.8 tp-100 -151.48 142.32 22.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.934 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.537 ' CE1' HD13 ' A' ' 8' ' ' ILE . 19.1 m-85 -77.65 105.94 9.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.648 HG21 ' SD ' ' A' ' 75' ' ' MET . 34.2 p -137.64 150.96 47.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.3 p -69.98 170.68 10.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -65.81 -35.13 79.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.39 -38.86 96.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 75.0 m -87.87 -39.0 15.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.361 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -44.26 -50.87 8.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.1 t -77.7 -47.93 17.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.8 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -47.49 -36.91 10.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.779 ' O ' HG23 ' A' ' 38' ' ' VAL . 64.5 t80 -70.49 -50.42 38.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 38' ' ' VAL . 14.8 ttpt -62.97 -62.65 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' LYS . 8.3 ptm180 -37.93 -28.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 35' ' ' LYS . 59.9 p -94.93 -35.16 12.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 34' ' ' PHE . 94.9 t -77.42 -67.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.406 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -47.82 -27.42 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.489 ' HB3' HD21 ' A' ' 42' ' ' LEU . 47.8 mtt180 -93.26 -20.47 20.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' VAL . 10.5 t-20 70.64 32.31 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 40' ' ' ARG . 17.7 mt -66.92 169.99 7.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.8 m -151.88 109.99 3.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -93.82 149.29 21.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.0 m -112.65 97.88 6.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.137 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.4 t -58.89 106.11 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -62.54 -8.02 5.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.95 -173.46 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -80.95 35.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 46.7 mtt-85 44.67 39.57 3.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 51.9 p30 -130.04 17.11 5.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.5 m -60.96 132.73 92.21 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 103.45 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.682 2.255 . . . . 0.0 112.358 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 25.5 mm -85.04 115.86 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.168 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.6 p30 -150.84 171.69 16.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.894 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 49.3 t . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.809 0.337 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -84.8 -60.63 2.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.53 ' CD1' ' N ' ' A' ' 65' ' ' CYS . 2.4 t80 -54.02 -63.66 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.53 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 64.2 m -43.78 -61.12 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -49.03 -47.88 44.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.0 tp -57.41 -56.84 16.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -48.47 -47.38 38.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.529 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.3 ttmt -45.02 -24.99 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.0 m -73.04 -53.43 11.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.5 mt -64.56 -11.83 38.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 73' ' ' VAL . 0.6 OUTLIER -93.04 -59.62 2.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.65 HG11 ' O ' ' A' ' 11' ' ' VAL . 24.1 m -44.96 -31.86 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 147.58 -30.27 1.42 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.648 ' SD ' HG21 ' A' ' 26' ' ' THR . 74.2 mtp -41.85 117.66 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 110.848 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -102.0 144.43 30.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 78' ' ' GLU . 89.9 mtm-85 -70.68 -48.03 56.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 77' ' ' ARG . 10.8 pt-20 -34.62 -44.65 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 78' ' ' GLU . . . -60.55 -53.45 57.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.529 HG22 ' CE1' ' A' ' 22' ' ' TYR . 61.7 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.497 HG21 ' CG ' ' A' ' 25' ' ' PHE . 6.9 mt . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.774 0.321 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.7 170.0 8.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 15' ' ' ASP . 43.6 t -80.62 125.47 30.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.716 ' O ' HG11 ' A' ' 73' ' ' VAL . 16.7 m -75.11 7.69 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.7 t -113.66 -53.39 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 56' ' ' GLN . 26.6 p -113.58 -17.32 12.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 95.49 -4.39 66.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.451 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 10' ' ' CYS . 21.8 t70 -66.62 139.93 57.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -41.02 107.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 t -60.9 149.02 37.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.0 p -100.9 15.84 27.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.28 172.29 13.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -73.86 76.76 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -83.82 118.9 24.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.483 ' CD2' ' HE3' ' A' ' 75' ' ' MET . 30.5 m-85 70.09 40.28 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.69 15.42 64.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.425 ' NE2' ' HA3' ' A' ' 74' ' ' GLY . 5.6 tp-100 -146.13 148.57 32.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.941 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.497 ' CG ' HG21 ' A' ' 8' ' ' ILE . 36.8 m-85 -83.26 104.89 13.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.1 p -138.1 154.06 49.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.6 p -71.39 173.32 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -69.37 -30.65 68.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.56 -45.33 96.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 61.3 m -83.74 -37.4 22.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.929 0.395 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -45.1 -55.44 5.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -71.44 -42.98 67.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.436 ' CE2' ' HG2' ' A' ' 66' ' ' ARG . 74.1 t80 -52.97 -35.27 58.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.56 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 42.5 t80 -70.19 -47.01 63.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.561 ' HG2' ' N ' ' A' ' 36' ' ' ARG . 11.4 ttmt -65.0 -67.87 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.561 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 5.8 ptm180 -34.99 -31.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.817 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 35' ' ' LYS . 35.5 p -89.9 -41.97 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.56 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 28.8 t -70.56 -57.4 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.492 ' HG3' ' N ' ' A' ' 40' ' ' ARG . 1.3 ptp180 -54.02 -33.28 56.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.492 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 26.0 mtp180 -90.79 -19.13 23.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 m120 69.21 38.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.6 mt -72.71 167.92 19.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 89.9 m -152.13 111.04 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -99.72 158.14 15.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.0 t -113.48 140.09 48.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.511 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 11.1 t -105.24 97.38 7.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -51.93 -16.61 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.511 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . . . -88.24 -172.41 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -79.57 23.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.43 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 80.7 mtt85 53.88 39.54 30.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -130.46 20.23 5.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.3 m -59.63 128.17 85.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.626 0.726 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 90.52 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.246 . . . . 0.0 112.354 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.2 mm -71.96 93.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 8.0 t0 -114.26 -173.74 2.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 13' ' ' CYS . 3.7 tp-100 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.7 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.769 0.318 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -56.07 -68.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.536 ' CZ ' ' HG3' ' A' ' 68' ' ' LYS . 18.5 t80 -47.55 -72.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.528 ' N ' ' CD2' ' A' ' 64' ' ' TYR . 36.3 m -36.45 -50.16 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.436 ' HG2' ' CE2' ' A' ' 33' ' ' PHE . 27.0 ttt180 -59.13 -63.48 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.777 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -46.6 -51.81 14.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.65 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.3 mmmp? -58.86 -51.87 68.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -37.03 -28.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 68' ' ' LYS . 70.8 m -65.17 -53.27 47.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.471 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 11.9 mt -66.17 -9.97 36.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -94.11 -56.97 2.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.716 HG11 ' O ' ' A' ' 11' ' ' VAL . 26.6 m -52.72 -35.34 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.425 ' HA3' ' NE2' ' A' ' 24' ' ' GLN . . . 150.32 -29.79 1.08 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.521 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.504 ' HE3' ' CD2' ' A' ' 34' ' ' PHE . 33.1 mmm -41.47 132.15 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.82 0.343 . . . . 0.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -109.31 148.12 31.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.471 ' HG3' ' CD2' ' A' ' 71' ' ' LEU . 43.3 mtp180 -79.77 -38.05 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -50.68 -30.44 13.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.63 -50.74 48.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.43 HG21 ' HB ' ' A' ' 38' ' ' VAL . 80.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.6 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.776 0.322 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -111.76 163.97 13.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.5 t -79.04 125.32 29.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.489 ' O ' HG11 ' A' ' 73' ' ' VAL . 22.1 m -75.01 6.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.643 HG11 ' NE ' ' A' ' 66' ' ' ARG . 83.0 t -112.29 -54.32 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.438 ' HB2' ' CA ' ' A' ' 56' ' ' GLN . 29.0 p -115.96 -14.1 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 96.72 -15.6 62.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 10' ' ' CYS . 36.6 t0 -50.48 140.06 14.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.366 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -47.89 107.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.3 t -63.58 143.1 58.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.4 p -89.41 -14.23 35.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 161.14 -177.24 37.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.414 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 5.3 ttmm -77.28 95.48 4.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -104.26 124.36 49.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 62.36 44.69 7.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.69 19.01 57.78 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.53 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -151.73 141.51 21.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.341 . . . . 0.0 110.932 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.414 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 38.7 m-85 -76.97 107.66 9.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.617 HG21 ' SD ' ' A' ' 75' ' ' MET . 27.6 p -140.37 146.13 38.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.4 p -64.22 164.53 10.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -63.5 -30.24 71.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.96 -35.95 91.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.42 ' HB3' ' NH2' ' A' ' 66' ' ' ARG . 83.0 m -88.02 -39.11 14.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -48.37 -47.71 37.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 85.3 p -72.38 -54.22 10.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.575 ' CE1' ' HG3' ' A' ' 66' ' ' ARG . 3.6 t80 -46.27 -37.07 6.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.734 ' O ' HG23 ' A' ' 38' ' ' VAL . 42.8 t80 -67.26 -50.52 60.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 37' ' ' SER . 18.2 ttpt -60.94 -63.9 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' LYS . 13.6 ptt180 -36.95 -28.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 35' ' ' LYS . 95.9 p -96.71 -35.53 10.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 34' ' ' PHE . 73.4 t -75.02 -56.01 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.423 ' HD3' ' C ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -60.49 -24.85 65.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.401 ' HG2' ' HD3' ' A' ' 39' ' ' ARG . 42.8 mtt180 -97.56 -18.13 19.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.1 m120 65.39 53.79 1.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.1 mt -93.19 143.2 26.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.1 m -126.09 86.96 2.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.523 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 20.6 m-85 -60.75 149.62 35.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.4 m -105.35 99.65 9.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.162 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.5 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 51.0 t -59.08 110.29 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.01 19.35 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.406 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . . . -133.26 -171.83 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 51' ' ' ASN . 6.1 m120 -79.09 40.76 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.498 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 43.9 mtm180 37.56 30.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.4 p-10 -120.41 14.28 11.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 6.4 m -58.04 129.99 82.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.588 0.709 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 112.54 3.11 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.359 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.487 HD12 ' HB2' ' A' ' 66' ' ' ARG . 38.3 mm -96.55 99.31 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -132.35 -178.05 4.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.438 ' CA ' ' HB2' ' A' ' 13' ' ' CYS . 3.3 tp-100 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.3 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.814 0.34 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.523 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 77.0 mt-30 -76.8 -62.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.566 ' CD1' ' N ' ' A' ' 65' ' ' CYS . 2.9 t80 -52.88 -66.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.566 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 39.9 m -38.88 -48.26 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.643 ' NE ' HG11 ' A' ' 12' ' ' VAL . 2.6 tpt180 -64.15 -64.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.85 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -43.17 -39.67 2.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.643 ' N ' HD13 ' A' ' 67' ' ' LEU . 49.0 mmtt -71.72 -40.32 69.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.499 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -52.83 -24.19 8.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.841 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.445 ' O ' HG22 ' A' ' 73' ' ' VAL . 86.3 m -67.96 -52.92 30.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.11 -25.99 68.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 7.5 tmtt? -75.48 -55.78 5.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 69' ' ' LYS . 27.3 m -53.78 -26.34 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 139.8 -35.1 1.96 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.617 ' SD ' HG21 ' A' ' 26' ' ' THR . 59.3 mtp -36.58 117.88 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.738 0.304 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 76' ' ' ARG . 4.7 ptp180 -99.66 137.11 38.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -61.18 -50.09 74.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -40.72 -35.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.95 -50.04 75.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.533 HG21 ' HB ' ' A' ' 38' ' ' VAL . 70.6 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.166 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.536 HG22 ' N ' ' A' ' 9' ' ' GLU . 11.0 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.803 0.335 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.536 ' N ' HG22 ' A' ' 8' ' ' ILE . 1.7 pt-20 -122.89 168.82 11.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 15' ' ' ASP . 47.3 t -84.01 120.18 25.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.4 m -70.46 2.52 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.8 t -106.67 -50.9 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.7 p -117.3 -16.99 10.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 10' ' ' CYS . . . 95.41 -7.05 68.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.517 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 10' ' ' CYS . 25.7 t0 -63.46 139.49 58.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.27 107.44 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.4 t -63.54 146.48 53.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.0 t -88.77 -16.31 32.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.44 -179.72 39.06 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.456 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.542 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 15.7 ttmt -78.37 84.25 4.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.758 0.313 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -92.36 116.6 29.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 68.19 47.66 0.99 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.19 19.34 51.71 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -151.98 143.19 23.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.954 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.542 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 68.5 m-85 -82.79 111.78 19.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.8 p -142.33 138.48 31.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.8 p -53.49 174.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -73.78 -25.23 60.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.07 -40.46 93.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 59.6 m -89.77 -28.44 19.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.453 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -55.35 -45.02 76.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.453 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 2.6 m -81.78 -29.8 32.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.542 ' CE2' ' HD3' ' A' ' 66' ' ' ARG . 92.6 t80 -66.2 -34.69 78.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.848 ' O ' HG23 ' A' ' 38' ' ' VAL . 43.5 t80 -72.14 -43.15 65.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.436 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 36.8 tttt -67.44 -64.06 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.439 ' HB2' ' NH1' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -45.11 -22.47 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.822 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.5 p -94.2 -40.03 10.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.828 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 34' ' ' PHE . 95.2 t -78.17 -57.89 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.438 ' HB2' ' NH1' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -52.55 -29.72 26.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.5 ' HB3' HD21 ' A' ' 42' ' ' LEU . 30.6 mtp85 -95.55 -21.07 18.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 74.68 32.09 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 40' ' ' ARG . 12.7 mt -69.32 141.82 54.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.1 m -130.9 87.54 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.193 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -69.17 153.88 42.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.2 m -106.06 133.8 50.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 50.0 t -99.08 94.61 6.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -11.43 2.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.85 -173.84 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -82.58 34.53 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.475 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 64.7 mtm180 43.55 34.74 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -120.98 16.82 11.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.6 m -60.32 123.94 75.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.67 0.748 . . . . 0.0 110.81 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 85.3 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.34 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.55 HD12 ' HB2' ' A' ' 66' ' ' ARG . 24.8 mm -65.39 111.55 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -139.63 178.84 6.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.911 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 49.6 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.842 0.353 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -99.41 -56.44 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.475 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -61.06 -54.88 39.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.963 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.443 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 56.5 m -51.01 -54.02 28.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.55 ' HB2' HD12 ' A' ' 54' ' ' ILE . 44.5 ttt180 -57.87 -51.29 70.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.836 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -55.01 -44.04 74.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.61 ' N ' HD13 ' A' ' 67' ' ' LEU . 32.4 mmtt -66.55 -49.98 64.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -39.27 -25.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 68' ' ' LYS . 76.1 m -69.41 -49.68 52.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 mt -70.8 -8.89 55.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 73' ' ' VAL . 10.4 tmtt? -91.04 -54.22 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.439 ' CG2' ' HG3' ' A' ' 75' ' ' MET . 30.4 m -54.7 -38.28 42.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 153.69 -29.61 0.75 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.439 ' HG3' ' CG2' ' A' ' 73' ' ' VAL . 44.2 mtp -37.19 121.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.732 0.301 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -102.13 138.64 38.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.447 ' HD2' HG13 ' A' ' 38' ' ' VAL . 47.3 mtm180 -70.43 -41.83 72.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -43.25 -36.31 1.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.16 -47.68 73.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.7 mt . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.787 0.327 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -108.58 161.5 15.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.1 t -76.61 120.42 21.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.4 m -69.72 2.22 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.411 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 47.6 t -106.6 -56.92 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.439 ' HB2' ' C ' ' A' ' 55' ' ' ASP . 28.4 p -113.25 -15.05 12.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 98.12 -17.32 58.83 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.456 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 10' ' ' CYS . 27.6 t70 -50.41 139.3 15.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -46.72 103.99 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.1 t -56.43 146.42 24.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.823 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.7 t -91.93 -13.14 31.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.87 -171.43 36.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.548 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 20.2 ttmt -86.06 84.25 7.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.339 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -96.61 124.71 40.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.598 ' CE1' HG22 ' A' ' 80' ' ' VAL . 31.9 m-85 67.08 37.4 3.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.83 16.03 65.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.495 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -146.53 146.38 30.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.888 0.375 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.548 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 40.9 m-85 -82.11 108.35 15.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.421 HG21 ' SD ' ' A' ' 75' ' ' MET . 40.4 p -139.91 158.76 43.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.7 p -74.9 165.8 24.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -63.44 -26.17 68.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.97 -42.45 85.3 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.8 m -85.62 -32.01 22.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.946 0.403 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -51.34 -54.17 28.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t -72.51 -46.54 54.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -49.57 -35.77 21.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.855 ' O ' HG23 ' A' ' 38' ' ' VAL . 53.5 t80 -71.93 -46.47 57.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 38' ' ' VAL . 21.2 tttm -64.61 -66.07 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.458 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 5.6 ptm180 -38.01 -26.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 35' ' ' LYS . 89.9 p -95.08 -33.85 12.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 34' ' ' PHE . 84.6 t -82.83 -58.72 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.498 ' HG2' ' CG ' ' A' ' 35' ' ' LYS . 2.8 ppt_? -53.56 -27.52 26.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.478 ' HG3' ' NE ' ' A' ' 39' ' ' ARG . 25.9 mtp180 -95.02 -22.06 18.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 71.94 40.89 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 37' ' ' SER . 13.4 mt -77.25 170.5 16.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.0 m -149.55 119.22 7.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.575 ' CD2' ' HB3' ' A' ' 63' ' ' GLN . 10.3 m-85 -103.6 162.06 13.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.001 0.429 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.5 m -122.56 101.83 7.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.4 t -57.54 110.52 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -64.02 -12.2 36.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.25 -172.23 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -80.51 31.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 53.14 36.72 23.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -127.36 22.84 6.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.4 m -67.1 122.29 82.03 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 89.77 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.47 HD12 ' HB2' ' A' ' 66' ' ' ARG . 29.2 mm -67.08 107.76 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.439 ' C ' ' HB2' ' A' ' 13' ' ' CYS . 6.2 t0 -126.59 -173.9 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.92 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.761 0.315 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.575 ' HB3' ' CD2' ' A' ' 44' ' ' TYR . 17.6 mt-30 -61.32 -66.8 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.542 ' CD2' ' N ' ' A' ' 65' ' ' CYS . 14.1 t80 -49.35 -72.15 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.542 ' N ' ' CD2' ' A' ' 64' ' ' TYR . 47.9 m -37.49 -59.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.47 ' HB2' HD12 ' A' ' 54' ' ' ILE . 66.7 ttt180 -49.28 -52.98 24.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 68' ' ' LYS . 1.9 tp -57.62 -58.98 5.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.531 ' HG3' ' CZ ' ' A' ' 64' ' ' TYR . 19.8 mmtt -48.83 -44.96 39.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.72 -29.94 5.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 77.7 m -67.09 -50.84 60.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.408 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 14.0 mt -62.64 -21.44 65.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 1.4 tmtp? -81.99 -59.4 2.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.8 m -50.54 -28.15 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 144.44 -36.71 1.44 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 74' ' ' GLY . 59.2 mtp -35.34 116.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.75 0.31 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.427 ' HE ' ' CG ' ' A' ' 78' ' ' GLU . 4.7 ptm180 -98.71 147.24 25.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.436 ' HE ' HG13 ' A' ' 38' ' ' VAL . 79.1 mtp180 -73.61 -40.5 63.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.427 ' CG ' ' HE ' ' A' ' 76' ' ' ARG . 11.9 pm0 -53.43 -30.52 40.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.03 -46.2 82.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.598 HG22 ' CE1' ' A' ' 22' ' ' TYR . 40.9 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.503 HD13 ' CE1' ' A' ' 25' ' ' PHE . 10.3 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.82 0.343 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -104.61 162.8 12.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 15' ' ' ASP . 44.9 t -79.12 126.34 30.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.59 ' O ' HG11 ' A' ' 73' ' ' VAL . 30.3 m -75.09 7.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.402 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 79.0 t -112.62 -56.03 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.405 ' HB2' ' CA ' ' A' ' 56' ' ' GLN . 29.5 p -114.31 -14.21 12.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.23 -20.4 50.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.539 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 10' ' ' CYS . 35.5 t0 -47.43 140.47 5.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HD3' ' C ' ' A' ' 16' ' ' LYS . 11.3 tmtt? -45.6 100.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 t -54.89 134.89 48.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.9 p -75.8 -22.28 56.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.99 -173.33 39.18 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -78.66 87.34 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -98.22 128.5 44.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.573 ' CD2' ' HE3' ' A' ' 75' ' ' MET . 15.5 m-85 59.27 41.22 20.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.54 18.48 65.79 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -149.98 146.82 27.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.503 ' CE1' HD13 ' A' ' 8' ' ' ILE . 27.8 m-85 -81.53 108.98 15.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.8 p -140.41 142.47 35.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.5 p -63.47 160.12 17.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.18 -39.21 59.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.23 -46.15 93.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.552 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 78.3 m -83.54 -19.28 35.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.897 0.379 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 32' ' ' SER . 2.9 tmmm? -64.6 -49.63 70.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.49 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 58.9 p -81.93 -38.14 25.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -58.57 -30.65 67.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.557 ' CD2' ' HE3' ' A' ' 75' ' ' MET . 59.9 t80 -75.03 -48.98 21.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.458 ' HG2' ' HG2' ' A' ' 39' ' ' ARG . 28.7 tttt -67.23 -62.48 1.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 35' ' ' LYS . 16.6 ptt180 -34.76 -34.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 35' ' ' LYS . 11.5 p -84.29 -50.96 7.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.97 -58.36 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.458 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -51.03 -30.0 14.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.547 ' HB3' HD21 ' A' ' 42' ' ' LEU . 21.8 mtp180 -93.44 -12.61 29.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.5 m120 64.28 40.47 6.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 40' ' ' ARG . 14.4 mt -81.5 175.34 10.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.9 m -162.38 112.79 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.416 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 7.9 m-85 -92.2 143.79 26.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.1 m -102.51 101.26 11.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.501 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 52.5 t -61.01 109.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.28 -8.44 46.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.33 -172.0 2.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -79.98 34.5 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.418 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 72.3 mtt-85 44.32 29.75 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.78 22.26 10.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.9 m -63.96 130.27 94.39 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.621 0.724 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 105.27 1.45 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.352 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.509 HD12 ' HB2' ' A' ' 66' ' ' ARG . 50.2 mm -86.45 113.6 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.155 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -143.88 178.99 7.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.405 ' CA ' ' HB2' ' A' ' 13' ' ' CYS . 1.5 tp-100 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 53.6 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.416 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 21.7 mt-30 -91.53 -56.56 3.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.954 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.523 ' CD1' ' N ' ' A' ' 65' ' ' CYS . 0.9 OUTLIER -59.63 -59.75 4.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.868 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.523 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 66.0 m -47.83 -53.43 15.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.509 ' HB2' HD12 ' A' ' 54' ' ' ILE . 77.5 ttt180 -58.48 -55.95 28.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.746 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -50.53 -46.04 57.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.518 ' N ' HD13 ' A' ' 67' ' ' LEU . 59.1 mmtt -63.01 -52.14 64.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.459 ' O ' HG13 ' A' ' 73' ' ' VAL . 4.9 ttmt -36.21 -29.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 68' ' ' LYS . 64.4 m -62.75 -57.66 10.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.457 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 9.8 mt -60.73 -17.76 50.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -83.77 -59.43 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.59 HG11 ' O ' ' A' ' 11' ' ' VAL . 35.1 m -48.13 -26.39 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.479 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 140.8 -35.5 1.85 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.472 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.573 ' HE3' ' CD2' ' A' ' 22' ' ' TYR . 33.8 mmm -32.15 139.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.838 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -113.51 149.28 34.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.457 ' HG3' ' CD2' ' A' ' 71' ' ' LEU . 17.9 mtm105 -85.11 -35.97 21.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -49.47 -39.15 32.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 80' ' ' VAL . . . -66.14 -50.24 64.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' ALA . 77.9 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.9 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.799 0.333 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -109.88 164.15 12.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 15' ' ' ASP . 49.8 t -80.73 126.14 30.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.699 ' O ' HG11 ' A' ' 73' ' ' VAL . 18.8 m -74.83 8.28 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.4 t -114.68 -54.58 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 56' ' ' GLN . 29.3 p -116.44 -12.89 10.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.89 -22.95 38.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 10' ' ' CYS . 19.8 t70 -43.85 138.71 2.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.895 0.379 . . . . 0.0 110.824 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -47.18 106.07 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.9 t -63.09 134.59 56.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 m -78.43 -16.93 57.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.54 -166.75 37.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 22.2 ttmt -86.02 83.17 7.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.939 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 24' ' ' GLN . 14.0 m-70 -89.88 119.45 30.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 69.0 37.98 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.12 16.78 73.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.456 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 21' ' ' HIS . 4.0 tp-100 -148.84 152.31 36.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.353 . . . . 0.0 110.911 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.424 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 43.0 m-85 -84.96 102.21 12.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.1 p -136.34 144.34 44.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.144 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.9 p -62.12 173.76 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -69.53 -31.85 70.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.3 -40.06 98.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.503 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.2 m -87.09 -35.51 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.964 0.411 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -47.41 -56.78 6.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t -71.63 -45.42 62.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -50.96 -35.6 34.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.745 ' O ' HG23 ' A' ' 38' ' ' VAL . 50.2 t80 -69.8 -47.13 63.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 38' ' ' VAL . 35.4 tttt -64.7 -59.59 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -43.43 -31.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.615 ' HA ' HD12 ' A' ' 42' ' ' LEU . 22.4 p -86.33 -30.3 22.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 34' ' ' PHE . 87.0 t -87.08 -61.46 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.505 ' HE ' ' C ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -45.97 -35.17 4.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.467 ' CG ' ' HD3' ' A' ' 39' ' ' ARG . 13.9 mtp180 -91.26 -18.55 24.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 71.4 39.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 37' ' ' SER . 10.5 mt -73.93 171.51 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.5 m -156.15 107.42 2.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.557 ' CD2' ' HB3' ' A' ' 63' ' ' GLN . 10.2 m-85 -87.18 140.55 29.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 26.4 m -103.43 87.95 2.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.49 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 49.6 t -44.76 113.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -79.71 13.2 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.08 -171.36 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 51' ' ' ASN . 6.6 m120 -78.5 41.15 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.56 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 78.1 mtt85 37.06 30.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 49' ' ' ASN . 51.6 p-10 -120.13 15.77 12.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.1 m -57.39 133.0 81.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.731 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 96.49 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.619 HD11 ' HB3' ' A' ' 62' ' ' CYS . 47.5 mm -84.53 89.39 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -130.64 168.45 17.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 13' ' ' CYS . 2.1 tp-100 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.619 ' HB3' HD11 ' A' ' 54' ' ' ILE . 42.1 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.81 0.338 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.557 ' HB3' ' CD2' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -96.46 -51.51 4.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.56 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 1.0 OUTLIER -64.98 -57.49 8.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.846 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.494 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 86.8 m -49.83 -47.42 51.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.568 ' HB2' HD12 ' A' ' 54' ' ' ILE . 52.4 ttt180 -62.84 -59.96 4.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.776 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -49.65 -49.11 48.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.663 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -64.04 -47.14 81.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.424 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.1 ttmt -39.51 -26.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 68' ' ' LYS . 71.5 m -68.85 -53.41 21.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.422 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 11.6 mt -62.32 -17.15 57.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -85.55 -60.36 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.699 HG11 ' O ' ' A' ' 11' ' ' VAL . 31.4 m -48.77 -38.86 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 156.08 -34.13 0.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.468 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.463 ' C ' ' O ' ' A' ' 74' ' ' GLY . 30.4 mmm -33.39 138.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.739 0.304 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.42 ' HE ' ' HB2' ' A' ' 79' ' ' ALA . 13.2 ptt180 -117.63 143.55 46.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.422 ' HG3' ' CD2' ' A' ' 71' ' ' LEU . 89.1 mtt180 -77.54 -40.28 43.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -46.94 -27.49 1.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.42 ' HB2' ' HE ' ' A' ' 76' ' ' ARG . . . -74.2 -45.8 46.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.3 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.458 HG21 ' CG ' ' A' ' 25' ' ' PHE . 12.3 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.833 0.349 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -106.61 169.03 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' ASP . 49.0 t -83.13 126.45 32.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.699 ' O ' HG11 ' A' ' 73' ' ' VAL . 17.1 m -75.83 8.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.6 t -114.83 -54.87 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.7 p -112.38 -17.99 12.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.68 -12.11 62.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 10' ' ' CYS . 38.7 t70 -60.07 141.65 55.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.368 . . . . 0.0 110.841 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -40.79 109.88 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' ILE . 12.2 t -58.23 141.28 51.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.477 ' CB ' ' HG3' ' A' ' 28' ' ' GLU . 50.7 p -100.35 29.5 4.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.97 164.68 12.89 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 17.3 ttmt -79.39 78.74 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.453 ' CD2' ' HG3' ' A' ' 31' ' ' LYS . 80.4 m-70 -87.28 123.14 31.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 71.07 42.66 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.25 21.62 57.04 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.416 ' HG3' HG21 ' A' ' 11' ' ' VAL . 4.3 tp-100 -150.14 146.71 27.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 0.0 110.953 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.535 ' O ' HG22 ' A' ' 11' ' ' VAL . 18.6 m-85 -84.1 111.48 19.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.512 HG21 ' SD ' ' A' ' 75' ' ' MET . 73.4 p -143.64 149.61 37.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.17 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 23.2 p -66.84 173.23 3.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.477 ' HG3' ' CB ' ' A' ' 18' ' ' SER . 38.6 mt-10 -69.35 -25.37 64.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.86 -44.22 70.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.461 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 63.6 m -84.49 -32.38 24.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.959 0.409 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -51.66 -50.03 61.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.474 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 78.2 p -78.12 -38.71 43.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -58.72 -33.73 70.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.675 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 47.6 t80 -72.12 -44.72 62.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 37' ' ' SER . 6.2 ttmt -65.7 -66.79 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 37' ' ' SER . 4.6 ptm180 -36.14 -29.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 35' ' ' LYS . 83.9 p -91.66 -43.39 9.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.675 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 79.4 t -70.75 -65.58 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.165 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.48 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -49.0 -24.76 1.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.502 ' HB3' HD21 ' A' ' 42' ' ' LEU . 59.1 mtp85 -95.01 -21.34 18.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 70.82 36.03 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.502 HD21 ' HB3' ' A' ' 40' ' ' ARG . 12.5 mt -72.7 172.36 10.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.4 m -157.6 105.79 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.511 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 22.5 m-85 -89.37 142.81 27.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.8 m -99.9 90.71 4.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.586 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 41.6 t -38.18 119.35 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -81.06 18.25 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -142.13 -174.98 4.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -77.72 41.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.555 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 76.9 mtt85 43.32 37.99 1.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -124.11 14.89 9.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 36.7 m -59.46 130.96 87.92 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.656 0.741 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 100.22 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.665 2.243 . . . . 0.0 112.373 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.815 HG23 ' HD3' ' A' ' 66' ' ' ARG . 48.4 mm -88.67 88.1 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -128.0 175.3 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.939 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.769 0.319 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.511 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 18.9 mt-30 -90.79 -47.7 7.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.586 ' CD1' ' HB2' ' A' ' 46' ' ' CYS . 3.9 t80 -64.88 -61.77 1.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.473 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 85.6 m -44.99 -54.11 6.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.815 ' HD3' HG23 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -55.31 -64.13 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.985 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -46.98 -41.85 16.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.723 ' N ' HD13 ' A' ' 67' ' ' LEU . 29.2 mmtt -65.2 -50.43 65.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.417 ' O ' HG22 ' A' ' 73' ' ' VAL . 5.2 ttmt -43.35 -25.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 89.9 m -69.64 -47.14 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.75 -15.14 60.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.14 -53.9 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.699 HG11 ' O ' ' A' ' 11' ' ' VAL . 22.6 m -53.12 -42.4 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 160.25 -34.75 0.43 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.512 ' SD ' HG21 ' A' ' 26' ' ' THR . 28.3 mtp -34.69 126.7 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -109.23 144.52 37.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.84 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.616 ' HD2' HG13 ' A' ' 38' ' ' VAL . 29.9 mtm180 -73.56 -43.86 58.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -42.05 -35.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.83 -47.11 55.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.148 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.434 HG21 HG11 ' A' ' 38' ' ' VAL . 87.9 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.515 HD13 ' CE1' ' A' ' 25' ' ' PHE . 9.4 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.776 0.322 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -105.83 169.79 8.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.484 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.2 t -83.08 123.81 29.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.528 ' O ' HG11 ' A' ' 73' ' ' VAL . 16.4 m -75.43 7.43 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.9 t -111.86 -52.39 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.7 p -116.26 -17.49 10.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 96.85 -6.5 64.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 10' ' ' CYS . 38.6 t0 -63.91 144.29 57.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.903 0.382 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -45.47 106.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 t -62.4 140.58 58.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 t -82.35 -20.07 38.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.44 -169.05 39.07 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 8.2 ttmm -87.71 83.68 7.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.836 0.351 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -95.37 121.2 36.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.621 ' CE1' HG22 ' A' ' 80' ' ' VAL . 27.7 m-85 69.85 39.08 1.5 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.15 23.25 69.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -152.31 149.81 29.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.515 ' CE1' HD13 ' A' ' 8' ' ' ILE . 50.2 m-85 -87.11 106.52 17.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.0 p -139.38 153.92 47.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.2 p -72.38 158.59 35.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.34 -38.14 65.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.08 -44.86 92.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 96.9 m -81.05 -37.42 29.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -47.54 -51.81 19.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.9 p -72.2 -50.08 30.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.463 ' HA ' ' NE ' ' A' ' 36' ' ' ARG . 65.0 t80 -49.54 -35.7 21.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.748 ' O ' HG23 ' A' ' 38' ' ' VAL . 47.1 t80 -70.15 -45.53 66.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 37' ' ' SER . 5.9 ttmt -67.65 -61.32 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.463 ' NE ' ' HA ' ' A' ' 33' ' ' PHE . 9.1 ptp180 -37.38 -27.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 35' ' ' LYS . 85.4 p -98.39 -33.5 11.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 34' ' ' PHE . 55.1 t -77.28 -56.39 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.444 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -59.72 -29.95 68.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -92.77 -21.44 19.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.0 t30 70.85 43.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.3 mt -83.8 169.49 15.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.5 m -154.44 112.88 3.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -94.56 163.33 13.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.6 t -107.82 132.18 53.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.5 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 34.9 t -84.03 115.56 22.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -81.5 23.14 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.454 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . . . -144.16 -175.04 4.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -77.48 41.93 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.518 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 77.9 mtm180 40.72 34.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -126.65 16.01 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.454 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 8.7 m -56.31 126.96 70.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.64 0.733 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 87.64 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.44 HD12 ' HB2' ' A' ' 66' ' ' ARG . 45.2 mm -69.65 98.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -123.09 178.71 4.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.934 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 45.3 t . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.746 0.308 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -89.28 -54.42 4.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.528 ' CE2' ' HG3' ' A' ' 68' ' ' LYS . 1.4 t80 -58.65 -60.29 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.511 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 51.6 m -46.8 -54.28 10.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.44 ' HB2' HD12 ' A' ' 54' ' ' ILE . 54.8 ttt180 -56.22 -50.06 72.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.742 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -56.63 -57.59 11.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.608 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.1 mmmp? -54.24 -49.68 68.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 68' ' ' LYS . 1.7 ttmt -38.36 -26.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' LYS . 68.8 m -70.35 -51.4 30.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 23.6 mt -67.12 -9.86 44.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.0 -57.95 2.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.528 HG11 ' O ' ' A' ' 11' ' ' VAL . 30.8 m -50.05 -33.78 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 148.85 -30.93 1.23 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 69.8 mtp -38.13 124.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.745 0.307 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.442 ' CZ ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 ptm180 -104.62 142.6 34.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -73.68 -36.8 65.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.442 ' HG3' ' CZ ' ' A' ' 76' ' ' ARG . 6.4 pt-20 -52.59 -25.59 11.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.31 -34.43 59.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.664 ' O ' HG12 ' A' ' 80' ' ' VAL . 79.7 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.471 HG21 ' CG ' ' A' ' 25' ' ' PHE . 7.8 mt . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.84 0.352 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.8 mp0 -106.88 166.15 10.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.7 t -77.42 120.66 22.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.5 m -71.28 3.19 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.403 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 57.8 t -106.9 -54.2 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.174 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.442 ' HB2' ' CA ' ' A' ' 56' ' ' GLN . 26.7 p -114.21 -17.58 11.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 96.5 -5.35 64.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 10' ' ' CYS . 36.6 t0 -64.41 141.16 58.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.927 0.394 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -43.93 107.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.3 t -67.51 140.42 57.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.9 t -80.04 -21.79 43.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.26 -176.6 38.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.414 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 18.9 ttmt -72.42 96.29 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.33 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -106.26 119.32 38.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 67.15 36.75 3.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.45 12.05 80.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -146.74 148.21 31.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.867 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.471 ' CG ' HG21 ' A' ' 8' ' ' ILE . 57.0 m-85 -83.3 107.81 16.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.1 p -138.88 144.9 39.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.9 p -61.54 175.15 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -72.26 -29.46 63.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.41 -38.93 95.45 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 77.1 m -87.39 -39.89 14.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.91 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -42.86 -49.2 5.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.8 m -75.77 -46.54 30.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.785 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -48.96 -31.65 7.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.488 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 71.9 t80 -75.4 -52.74 10.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.405 ' C ' ' N ' ' A' ' 37' ' ' SER . 43.1 tttt -61.22 -58.58 7.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -43.98 -23.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 35' ' ' LYS . 52.3 p -98.27 -34.68 10.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.488 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 17.9 t -78.98 -55.34 9.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.498 ' NE ' ' HG2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -53.95 -34.51 59.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.524 ' HE ' HD11 ' A' ' 42' ' ' LEU . 22.2 mtm180 -95.27 -16.4 22.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 m120 66.11 42.22 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.524 HD11 ' HE ' ' A' ' 40' ' ' ARG . 14.5 mt -73.28 142.82 47.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.8 m -120.33 113.59 20.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.527 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 25.5 m-85 -93.95 151.65 19.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 46' ' ' CYS . 94.1 m -115.35 85.51 2.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.564 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 40.7 t -37.05 114.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -77.96 11.91 2.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.441 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . . . -132.55 -173.16 3.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -80.08 39.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.424 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 48.6 mtm-85 44.84 35.79 1.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -125.87 18.02 7.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.441 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 7.8 m -62.87 128.48 92.08 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.622 0.725 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 98.92 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.307 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.6 mm -82.19 86.24 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -124.4 153.97 41.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.442 ' CA ' ' HB2' ' A' ' 13' ' ' CYS . 3.5 tp-100 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.8 t . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.735 0.302 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.527 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 28.5 mm100 -63.96 -62.37 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.564 ' CD2' ' HB2' ' A' ' 46' ' ' CYS . 14.1 t80 -52.62 -72.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.541 ' N ' ' CD2' ' A' ' 64' ' ' TYR . 61.5 m -37.24 -60.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 51.0 ttt180 -48.12 -53.78 15.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.01 -56.94 14.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.539 ' HG3' ' CZ ' ' A' ' 64' ' ' TYR . 19.1 mmtp -49.74 -49.55 47.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.439 ' O ' HG22 ' A' ' 73' ' ' VAL . 1.2 ttmt -42.99 -27.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 68.2 m -71.16 -54.25 11.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.65 -7.95 17.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -95.04 -59.2 1.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.461 ' N ' ' HD3' ' A' ' 72' ' ' LYS . 16.8 m -48.36 -39.61 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 154.48 -27.29 0.68 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.447 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 31.2 mmm -42.44 128.14 3.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.794 0.331 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.45 ' HD2' ' CG ' ' A' ' 78' ' ' GLU . 29.1 ptt180 -107.11 146.26 31.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.441 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 16.5 mtp-105 -76.4 -48.88 18.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.45 ' CG ' ' HD2' ' A' ' 76' ' ' ARG . 8.5 pt-20 -36.81 -43.93 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.22 -53.95 46.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 99.5 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -104.16 42.13 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.861 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -99.0 175.63 5.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.38 63.04 1.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.493 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -133.82 172.92 12.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.856 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -108.77 79.38 1.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.88 -172.73 50.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.622 HD13 ' CD1' ' A' ' 25' ' ' PHE . 56.9 mt -79.95 153.96 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.775 0.321 . . . . 0.0 111.125 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.431 ' N ' HG22 ' A' ' 8' ' ' ILE . 35.0 mt-10 -112.88 159.96 18.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.7 t -76.32 118.51 19.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.1 m -68.96 1.14 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.0 t -105.28 -52.08 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.1 p -117.99 -15.33 9.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 10' ' ' CYS . . . 98.17 -20.13 51.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 10' ' ' CYS . 36.0 t0 -49.81 139.59 13.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -43.39 103.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.8 t -53.57 136.93 37.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.4 p -89.57 28.27 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.75 163.3 17.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 30.9 ttmt -63.29 102.2 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.79 0.329 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -113.06 130.47 56.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.469 ' CE1' HG22 ' A' ' 80' ' ' VAL . 41.8 m-85 64.77 25.67 12.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.45 -23.71 28.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -118.31 156.27 29.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.622 ' CD1' HD13 ' A' ' 8' ' ' ILE . 70.0 m-85 -81.92 111.62 18.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.715 HG21 ' SD ' ' A' ' 75' ' ' MET . 45.4 p -137.0 152.27 49.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.179 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.5 p -71.34 177.56 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -71.77 -29.27 64.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.85 -47.87 81.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.537 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 54.5 m -83.48 -28.99 28.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.933 0.397 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.487 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -52.29 -48.31 65.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.487 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 53.6 p -79.52 -41.36 27.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.45 ' CE2' ' HG2' ' A' ' 66' ' ' ARG . 68.1 t80 -56.16 -30.67 62.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.819 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.609 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 60.6 t80 -74.37 -49.28 23.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.542 ' O ' ' N ' ' A' ' 37' ' ' SER . 20.5 tttt -63.8 -63.56 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 35' ' ' LYS . 1.2 ptp180 -34.89 -30.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 35' ' ' LYS . 9.3 p -93.75 -46.5 7.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.72 HG11 HG21 ' A' ' 80' ' ' VAL . 40.0 t -63.93 -61.16 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.427 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -55.28 -27.23 45.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 66.8 mtp180 -91.25 -16.99 26.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 66.48 42.12 2.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 37' ' ' SER . 19.1 mt -80.75 175.37 10.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 51.3 m -161.25 105.66 1.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -91.53 150.87 21.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 89.5 m -112.81 101.68 9.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.441 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 40.0 t -58.21 107.52 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -62.45 -7.79 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -104.01 -172.58 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -81.11 31.35 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.535 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 86.7 mtt180 50.44 38.22 17.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.39 19.42 8.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.6 m -64.76 130.74 94.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.604 0.716 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 101.61 0.93 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.7 2.267 . . . . 0.0 112.314 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.465 HD12 ' HB2' ' A' ' 66' ' ' ARG . 49.5 mm -86.91 82.04 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.641 ' N ' HE22 ' A' ' 61' ' ' GLN . 4.2 m-20 -107.31 -178.21 3.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -92.83 -41.6 10.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.963 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.04 49.21 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -152.95 123.83 7.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 60' ' ' ASN . 8.4 ptp85 -47.79 176.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.462 ' C ' ' O ' ' A' ' 59' ' ' ARG . 3.0 m-20 -33.34 104.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.641 HE22 ' N ' ' A' ' 55' ' ' ASP . 31.5 mt-30 -92.89 178.67 5.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 46.0 t -37.42 156.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -99.14 -55.39 2.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.535 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 1.4 t80 -57.0 -47.57 80.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.9 m -60.5 -53.47 57.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.465 ' HB2' HD12 ' A' ' 54' ' ' ILE . 52.7 ttt180 -57.39 -48.19 79.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.728 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -61.9 -49.22 77.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.561 ' N ' HD13 ' A' ' 67' ' ' LEU . 33.2 mmtm -58.63 -52.12 67.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.44 ' O ' HG22 ' A' ' 73' ' ' VAL . 5.2 ttmt -37.68 -28.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' LYS . 64.9 m -65.06 -51.74 59.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.39 -14.69 63.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -86.7 -58.08 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 69' ' ' LYS . 28.4 m -53.03 -40.23 36.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 155.78 -33.34 0.62 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.545 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.715 ' SD ' HG21 ' A' ' 26' ' ' THR . 65.2 mtp -34.75 124.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -103.13 143.44 32.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 78' ' ' GLU . 61.7 mtt180 -74.86 -45.96 39.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 77' ' ' ARG . 14.6 pt-20 -36.77 -46.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 80' ' ' VAL . . . -56.88 -51.56 68.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.079 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.72 HG21 HG11 ' A' ' 38' ' ' VAL . 93.8 t -34.92 -37.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -115.67 103.46 10.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.79 157.38 21.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.62 -156.66 23.3 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 t -67.37 131.73 46.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.849 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -120.09 96.24 0.62 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.515 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 170.98 15.29 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.258 . . . . 0.0 112.328 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.6 p -126.07 126.17 43.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.816 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.0 p -96.25 41.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.503 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 t 59.18 41.77 19.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.844 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p -77.77 -45.71 23.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.33 -59.46 4.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -70.76 141.21 51.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -104.97 47.77 0.86 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.9 -162.77 21.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.467 HD13 ' CE1' ' A' ' 25' ' ' PHE . 17.9 mt -83.31 144.66 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.322 . . . . 0.0 111.144 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -108.21 162.26 14.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' ASP . 43.5 t -76.69 126.19 30.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.74 ' O ' HG11 ' A' ' 73' ' ' VAL . 12.5 m -76.59 9.08 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.3 t -114.9 -54.3 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.0 p -113.52 -16.65 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.83 -11.12 66.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 10' ' ' CYS . 27.2 t70 -58.58 141.48 52.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.369 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -44.65 103.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.6 t -57.1 144.1 35.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.8 p -96.51 23.36 6.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.04 162.04 12.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 8.5 tppt? -63.54 112.64 2.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -120.88 123.9 43.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 65.45 40.14 4.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.49 15.27 70.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.451 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.476 ' HG3' HG21 ' A' ' 11' ' ' VAL . 5.0 tp-100 -152.33 137.46 17.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.595 ' O ' HG22 ' A' ' 11' ' ' VAL . 48.0 m-85 -74.33 115.58 14.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.1 p -145.15 147.04 32.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.7 p -65.05 168.09 7.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -65.56 -25.15 67.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.27 -40.24 81.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.494 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.5 m -88.78 -28.22 20.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -57.44 -42.91 83.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.475 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 20.6 t -84.21 -37.52 21.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -62.8 -34.47 77.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.534 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 58.9 t80 -69.26 -44.22 72.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.526 ' O ' ' N ' ' A' ' 37' ' ' SER . 15.3 tttp -68.85 -64.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' LYS . 2.8 ptp180 -34.83 -30.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 35' ' ' LYS . 16.8 p -92.47 -42.91 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.705 HG13 ' HE ' ' A' ' 77' ' ' ARG . 35.1 t -69.23 -62.04 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.439 ' NH1' ' HE3' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -52.78 -26.2 13.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.456 ' HB3' HD21 ' A' ' 42' ' ' LEU . 67.9 mtt180 -92.17 -21.46 20.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 73.79 33.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 37' ' ' SER . 13.5 mt -72.19 173.15 8.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.2 m -161.6 105.65 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -89.0 142.72 27.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.5 m -102.5 108.78 20.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.136 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.483 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 17.9 t -78.88 93.17 4.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -52.08 -16.06 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.483 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . . . -85.67 -171.74 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -80.16 31.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.483 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 49.6 mtm180 41.65 32.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -122.45 17.95 10.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.9 m -58.73 130.5 85.59 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.656 0.741 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 98.98 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.413 HD12 ' HB2' ' A' ' 66' ' ' ARG . 48.2 mm -83.76 98.4 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.505 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 4.7 m-20 -121.71 -179.87 4.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.405 ' CD ' ' O ' ' A' ' 56' ' ' GLN . 2.4 tp-100 -89.89 -34.43 16.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -76.68 47.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -156.7 119.44 4.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -69.68 -69.92 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -85.26 104.63 15.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.505 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 7.7 mt-30 -124.06 164.65 18.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 39.1 t -57.2 139.11 53.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -83.1 -50.84 8.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.483 ' CE2' ' HG2' ' A' ' 50' ' ' ARG . 25.0 t80 -59.08 -59.26 5.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.966 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 56.5 m -51.68 -48.94 63.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.413 ' HB2' HD12 ' A' ' 54' ' ' ILE . 44.3 ttt180 -59.61 -56.19 24.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.825 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -53.33 -48.63 68.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.647 ' N ' HD13 ' A' ' 67' ' ' LEU . 23.9 mmmt -61.31 -48.81 79.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.492 ' O ' HG13 ' A' ' 73' ' ' VAL . 4.6 ttmt -39.05 -25.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 68' ' ' LYS . 72.5 m -69.25 -52.38 28.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.479 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 10.1 mt -63.66 -20.81 66.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -82.9 -53.14 6.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.74 HG11 ' O ' ' A' ' 11' ' ' VAL . 22.3 m -53.51 -31.8 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.475 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 146.39 -35.44 1.33 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.442 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.475 ' C ' ' O ' ' A' ' 74' ' ' GLY . 34.4 mmm -32.52 139.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.442 ' HE ' ' CG ' ' A' ' 78' ' ' GLU . 4.6 ptm180 -109.69 150.69 27.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.705 ' HE ' HG13 ' A' ' 38' ' ' VAL . 69.3 mtp180 -88.04 -36.44 16.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.442 ' CG ' ' HE ' ' A' ' 76' ' ' ARG . 11.7 pt-20 -54.12 -40.03 66.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.31 89.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.431 ' CG1' ' HB3' ' A' ' 39' ' ' ARG . 71.5 t -51.92 -41.47 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -112.16 113.37 25.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -110.58 132.22 54.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 70.87 52.74 13.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.9 t -115.78 136.15 53.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.917 0.389 . . . . 0.0 110.875 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 170.62 -100.18 0.15 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 150.57 68.65 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.308 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 35.6 p -109.16 86.16 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 68.2 m -114.0 91.23 3.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.53 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -116.92 85.06 2.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.916 0.389 . . . . 0.0 110.849 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -94.32 89.48 5.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.21 70.12 0.55 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -163.27 161.05 24.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.87 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -101.03 90.32 4.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.33 150.7 11.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.516 HD13 ' CE1' ' A' ' 25' ' ' PHE . 13.7 mt -82.76 157.06 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.789 0.328 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.422 ' N ' HG22 ' A' ' 8' ' ' ILE . 2.4 pt-20 -119.6 168.17 11.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 15' ' ' ASP . 44.6 t -83.89 123.47 29.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.655 ' O ' HG11 ' A' ' 73' ' ' VAL . 18.4 m -73.89 7.14 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.402 HG13 ' HG2' ' A' ' 69' ' ' LYS . 97.7 t -113.27 -53.59 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.1 p -114.31 -14.89 12.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 94.28 -9.86 71.83 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.54 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 10' ' ' CYS . 10.3 t70 -59.16 140.06 56.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -44.98 107.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 t -63.72 148.23 49.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 m -89.52 -19.46 25.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 166.09 -167.22 39.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.539 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 16.6 ttmt -86.23 80.03 8.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.753 0.311 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -90.24 117.49 29.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 68.93 40.66 1.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.973 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.41 18.53 61.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.439 ' HG3' HG21 ' A' ' 11' ' ' VAL . 5.6 tp-100 -148.47 137.41 21.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.539 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 46.8 m-85 -75.34 105.44 6.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.621 HG21 ' SD ' ' A' ' 75' ' ' MET . 30.8 p -138.38 149.24 45.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.0 p -67.28 170.4 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -67.89 -25.69 65.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.06 -45.47 87.14 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.8 m -84.91 -29.19 25.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -56.44 -46.68 80.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.466 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 3.3 t -79.83 -35.53 38.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -64.92 -29.6 70.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.94 ' O ' HG23 ' A' ' 38' ' ' VAL . 37.0 t80 -74.09 -47.51 35.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 38' ' ' VAL . 35.7 tttp -65.31 -63.45 1.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' LYS . 11.1 ptp180 -35.85 -30.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 35' ' ' LYS . 92.3 p -95.89 -35.41 11.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.94 HG23 ' O ' ' A' ' 34' ' ' PHE . 87.1 t -74.64 -62.13 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.433 ' HD3' ' C ' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -54.87 -26.91 38.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.664 ' HB3' HD21 ' A' ' 42' ' ' LEU . 83.9 mtt180 -91.76 -18.17 24.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 66.1 t30 65.58 41.42 4.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 40' ' ' ARG . 12.1 mt -79.36 153.42 29.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.2 m -134.59 100.95 4.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 63' ' ' GLN . 10.2 m-85 -82.08 157.78 23.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.6 m -118.77 103.44 9.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.102 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.5 t -69.04 97.5 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -54.42 -14.43 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.48 -173.24 3.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -81.13 28.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.494 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 28.8 mtm-85 51.19 37.81 19.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -126.67 19.26 7.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.9 m -61.41 130.42 91.82 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.616 0.722 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 106.03 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.715 2.277 . . . . 0.0 112.332 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.47 HD12 ' HB2' ' A' ' 66' ' ' ARG . 52.1 mm -89.76 95.44 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.502 ' HB3' ' CE1' ' A' ' 57' ' ' HIS . 1.0 OUTLIER -116.74 -174.92 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.851 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.462 ' O ' ' C ' ' A' ' 57' ' ' HIS . 1.5 tp-100 -93.79 -59.86 1.89 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.502 ' CE1' ' HB3' ' A' ' 55' ' ' ASP . 2.9 p-80 -33.2 -45.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -81.1 128.49 33.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -85.2 -64.88 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 -75.04 106.03 6.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.471 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 31.5 mt-30 -132.74 171.4 13.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 53.2 t -52.93 149.78 6.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.431 ' HB3' ' CD2' ' A' ' 44' ' ' TYR . 34.9 mt-30 -88.61 -61.36 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.494 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 8.5 t80 -50.48 -53.19 31.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.955 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.7 m -54.72 -62.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.47 ' HB2' HD12 ' A' ' 54' ' ' ILE . 45.1 ttt180 -48.16 -51.72 23.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 tp -55.85 -57.49 11.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -48.26 -50.16 30.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.463 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -42.66 -26.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 62.0 m -69.74 -46.58 65.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 32.3 mt -70.28 -15.54 62.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.409 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 8.2 tmtm? -89.62 -56.78 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.655 HG11 ' O ' ' A' ' 11' ' ' VAL . 29.6 m -50.47 -38.34 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 154.67 -32.9 0.69 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.621 ' SD ' HG21 ' A' ' 26' ' ' THR . 29.2 mtp -39.84 117.78 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -102.1 136.07 42.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -61.36 -45.3 94.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -43.99 -32.37 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.59 -51.84 56.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.439 HG21 ' CB ' ' A' ' 38' ' ' VAL . 99.5 t -42.61 -55.02 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.116 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -159.88 160.89 34.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -121.67 130.77 53.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 166.69 -115.82 0.65 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 85' ' ' GLY . 32.3 t -73.3 -57.12 4.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.927 0.394 . . . . 0.0 110.872 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 84' ' ' SER . . . 34.5 80.76 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.518 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 85.88 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.412 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.5 p -148.43 148.85 30.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.2 m -156.75 125.12 5.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.483 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -126.18 147.42 49.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.374 . . . . 0.0 110.841 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -79.06 -54.11 6.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.49 128.07 2.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.473 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -171.89 158.95 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.898 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -65.4 93.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.01 156.25 8.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 17' ' ' SER . 14.2 mt -85.18 151.04 3.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 111.129 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 14' ' ' GLY . 67.1 mm-40 -103.12 167.27 9.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.507 ' N ' ' O ' ' A' ' 15' ' ' ASP . 44.3 t -83.03 124.55 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.621 ' O ' HG11 ' A' ' 73' ' ' VAL . 19.1 m -74.95 7.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 68.8 t -113.54 -51.97 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.2 p -117.49 -15.6 10.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.402 ' O ' ' OE1' ' A' ' 9' ' ' GLU . . . 97.68 -15.6 61.66 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 10' ' ' CYS . 15.2 t0 -53.38 141.39 24.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 1.2 tppp? -46.75 103.38 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 8' ' ' ILE . 14.4 t -54.72 148.5 12.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.2 t -92.33 -21.83 20.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 169.64 -171.17 43.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -86.3 78.66 9.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -87.77 133.45 33.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 54.62 37.54 28.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.74 24.55 71.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.437 ' HG3' HG21 ' A' ' 11' ' ' VAL . 3.9 tp-100 -152.0 138.64 18.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.935 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -75.72 108.69 8.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.9 p -140.81 155.68 46.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 22.1 p -72.34 175.2 6.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -72.17 -26.79 62.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.69 -40.16 90.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.4 m -86.67 -35.91 19.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -44.37 -50.44 9.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.7 m -77.16 -45.09 27.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -49.93 -37.12 30.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.535 ' O ' HG23 ' A' ' 38' ' ' VAL . 54.8 t80 -70.31 -46.63 63.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 37' ' ' SER . 12.5 ttpt -69.47 -65.34 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -36.15 -30.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 35' ' ' LYS . 77.9 p -91.55 -43.31 9.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 34' ' ' PHE . 42.0 t -70.64 -59.2 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.433 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -54.28 -24.66 19.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.415 ' HB3' HD21 ' A' ' 42' ' ' LEU . 31.2 mtp85 -97.78 -19.12 18.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 69.67 34.21 2.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' A' ' 40' ' ' ARG . 20.0 mt -68.5 149.18 49.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.6 m -133.21 88.5 2.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.455 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 9.6 m-85 -69.37 175.48 3.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.7 m -137.87 106.38 5.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 36.1 t -70.12 106.88 3.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -67.11 -4.03 8.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.03 -171.03 1.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -79.3 24.29 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.404 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 67.0 mtp180 53.98 33.89 18.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -124.85 21.08 8.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.9 m -60.09 127.87 86.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.655 0.741 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 84.97 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.714 2.276 . . . . 0.0 112.318 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.9 mm -64.5 91.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.743 ' N ' HE21 ' A' ' 61' ' ' GLN . 28.4 m-20 -132.09 154.51 49.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 58' ' ' HIS . 1.0 OUTLIER -51.92 -65.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.9 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.489 ' O ' ' CD2' ' A' ' 58' ' ' HIS . 11.8 m170 34.93 31.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.812 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.524 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 4.8 p80 33.97 49.19 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.7 ttp-105 -156.1 155.21 32.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.429 ' C ' ' HG3' ' A' ' 61' ' ' GLN . 1.9 m120 -53.97 169.56 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.743 HE21 ' N ' ' A' ' 55' ' ' ASP . 23.5 mt-30 -145.54 158.81 43.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 66' ' ' ARG . 13.8 t -49.07 128.81 16.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.455 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 81.6 mt-30 -57.67 -68.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.421 ' CD2' ' N ' ' A' ' 65' ' ' CYS . 28.3 t80 -49.12 -73.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.421 ' N ' ' CD2' ' A' ' 64' ' ' TYR . 65.2 m -37.92 -55.69 1.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.472 ' CB ' ' O ' ' A' ' 62' ' ' CYS . 1.5 tpt180 -49.91 -54.9 16.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.3 tp -53.06 -54.67 32.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm -51.16 -46.42 62.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.698 ' O ' HG13 ' A' ' 73' ' ' VAL . 2.6 ttmt -50.84 -22.49 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.502 ' O ' HG22 ' A' ' 73' ' ' VAL . 62.0 m -74.45 -56.29 5.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.1 mt -63.4 -19.09 64.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -82.28 -53.4 6.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 69' ' ' LYS . 35.8 m -55.57 -20.23 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 136.05 -37.31 1.91 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.461 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.455 ' C ' ' O ' ' A' ' 74' ' ' GLY . 73.0 mtp -33.37 119.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.901 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.2 ptt85 -103.21 137.6 41.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 78' ' ' GLU . 36.5 mtt180 -63.73 -46.62 84.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 77' ' ' ARG . 2.0 pm0 -37.23 -42.79 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 80' ' ' VAL . . . -58.86 -53.21 60.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 79' ' ' ALA . 97.8 t -36.37 -45.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -120.09 79.55 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -59.0 143.89 46.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -144.66 -114.36 0.93 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.2 t -116.59 -61.76 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.961 0.41 . . . . 0.0 110.85 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -146.05 -169.73 14.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 87.79 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.352 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 51.8 p -132.07 82.56 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.1 m -131.28 83.64 2.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.516 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.1 m -120.94 126.27 49.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.835 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -86.96 124.29 33.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.11 -110.42 1.33 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -46.59 133.05 10.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.0 p -54.28 143.07 24.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.47 164.7 10.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.696 ' CD1' ' CE1' ' A' ' 25' ' ' PHE . 9.1 mt -85.74 150.94 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 111.14 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.2 mp0 -107.83 165.32 11.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.799 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.6 t -79.14 124.17 28.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.673 ' O ' HG11 ' A' ' 73' ' ' VAL . 27.4 m -75.06 7.15 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.0 t -112.07 -55.7 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.6 p -112.14 -16.93 12.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 96.19 -6.32 66.16 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.512 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 10' ' ' CYS . 33.6 t70 -62.63 141.28 58.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.81 104.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 t -63.56 131.12 47.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 t -74.99 -22.37 58.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 165.79 163.98 20.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.481 ' HE2' ' CE2' ' A' ' 25' ' ' PHE . 6.2 tppt? -61.74 109.9 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -120.03 128.47 53.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 66.01 31.76 8.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.06 13.99 83.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.452 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -152.1 141.6 21.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.696 ' CE1' ' CD1' ' A' ' 8' ' ' ILE . 65.5 m-85 -74.52 112.13 10.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.519 HG21 ' SD ' ' A' ' 75' ' ' MET . 49.5 p -144.36 139.55 28.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.2 p -55.73 168.66 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.3 -19.94 63.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.57 -39.65 55.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 77.9 m -87.49 -31.08 20.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 0.0 110.923 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -55.05 -52.53 62.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.4 m -74.2 -42.98 58.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.46 ' HA ' ' NE ' ' A' ' 36' ' ' ARG . 28.4 t80 -59.23 -28.78 67.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.483 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 44.9 t80 -73.97 -46.03 46.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 37' ' ' SER . 51.5 tttt -68.94 -60.09 2.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.46 ' NE ' ' HA ' ' A' ' 33' ' ' PHE . 8.3 ptp180 -36.13 -28.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -96.58 -44.38 7.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.772 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.654 HG13 ' HE ' ' A' ' 77' ' ' ARG . 35.1 t -65.23 -62.68 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.421 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -54.59 -27.21 37.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.494 ' HB3' HD21 ' A' ' 42' ' ' LEU . 30.4 mtp180 -90.12 -14.0 34.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 m120 63.82 54.85 1.72 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 40' ' ' ARG . 13.1 mt -94.9 164.04 13.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 55.9 m -146.76 104.98 3.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.534 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 42.7 m-85 -83.97 144.75 28.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.0 m -108.21 89.09 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.169 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.537 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 41.9 t -43.57 116.14 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.44 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 3.2 tpm_? -78.72 14.66 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.417 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . . . -133.72 -172.51 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -79.38 41.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.522 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 62.7 mtm180 41.9 38.46 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -127.02 13.18 7.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 9.8 m -58.11 131.56 83.84 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.643 0.735 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 106.3 1.63 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.311 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.515 HD12 ' HB2' ' A' ' 66' ' ' ARG . 43.4 mm -95.62 82.74 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.501 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 23.0 p30 -115.34 166.14 12.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' HIS . 2.8 tp-100 -71.12 -47.96 55.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' GLN . 83.5 m-70 -34.05 -48.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -82.78 155.81 24.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.66 -58.79 1.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -91.95 92.63 8.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 30.5 mt-30 -118.56 164.88 14.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 61' ' ' GLN . 48.6 t -34.09 149.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.534 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 16.7 mt-30 -92.46 -49.9 5.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.537 ' CD1' ' HB2' ' A' ' 46' ' ' CYS . 1.7 t80 -61.17 -55.99 25.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.423 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 51.6 m -51.17 -49.59 60.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.515 ' HB2' HD12 ' A' ' 54' ' ' ILE . 64.9 ttt180 -62.65 -65.35 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.808 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -45.56 -46.15 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.586 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.3 mmmp? -62.63 -49.8 73.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.434 ' O ' HG13 ' A' ' 73' ' ' VAL . 5.8 ttmt -38.87 -26.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 68' ' ' LYS . 75.0 m -67.45 -48.98 65.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.401 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 15.7 mt -69.31 -17.84 63.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -84.75 -56.42 3.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.673 HG11 ' O ' ' A' ' 11' ' ' VAL . 27.6 m -52.18 -41.49 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.422 ' N ' HG23 ' A' ' 73' ' ' VAL . . . 158.64 -31.5 0.47 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.448 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.519 ' SD ' HG21 ' A' ' 26' ' ' THR . 29.3 mtp -39.98 124.23 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -105.5 139.06 40.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.654 ' HE ' HG13 ' A' ' 38' ' ' VAL . 78.8 mtp180 -68.04 -36.18 79.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -57.28 -29.52 63.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.83 -27.25 61.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 81.7 t -69.21 -37.39 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.449 ' CD ' ' O ' ' A' ' 81' ' ' GLN . 4.0 pp0? -128.03 52.07 1.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 82' ' ' ARG . 22.1 mtm105 -46.54 142.67 3.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.9 159.0 27.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.6 m -70.06 79.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.875 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.64 160.72 8.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' SER . 53.5 Cg_endo -69.73 -48.62 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.256 . . . . 0.0 112.345 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' PRO . 56.1 p 37.94 42.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.6 p -58.56 138.86 56.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.089 -0.84 . . . . 0.0 112.492 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.4 p -68.6 85.62 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 t -81.84 89.68 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.16 -128.57 6.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.5 t -90.04 89.8 7.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 0.0 110.85 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.2 p -144.32 119.88 10.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.85 159.86 25.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.6 mt -82.4 144.98 9.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.788 0.328 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -106.06 168.88 8.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 15' ' ' ASP . 47.8 t -83.97 127.84 34.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.703 ' O ' HG11 ' A' ' 73' ' ' VAL . 24.7 m -76.25 9.53 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 66.9 t -115.93 -55.1 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.422 ' HB2' ' CA ' ' A' ' 56' ' ' GLN . 28.9 p -114.6 -14.34 12.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.31 -17.77 58.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 10' ' ' CYS . 17.5 t70 -50.41 139.71 14.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -44.82 102.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.2 t -55.02 139.54 40.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 t -82.52 -23.04 34.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 165.94 -173.78 41.54 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -82.03 84.25 7.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -98.09 122.18 40.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.49 ' CE1' HG22 ' A' ' 80' ' ' VAL . 41.3 m-85 68.22 42.21 1.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.58 19.49 60.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -151.95 145.37 24.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -81.65 113.83 19.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.2 p -143.77 147.65 34.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.177 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.5 p -64.42 175.27 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -70.16 -30.44 67.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.87 -44.2 94.99 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 69.2 m -83.01 -37.21 24.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.934 0.397 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -46.01 -52.71 11.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.3 m -75.16 -45.1 42.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.416 ' CE2' ' HG2' ' A' ' 66' ' ' ARG . 82.5 t80 -52.23 -34.6 46.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.622 ' CD2' ' HE3' ' A' ' 75' ' ' MET . 57.9 t80 -69.53 -47.36 64.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 38' ' ' VAL . 28.3 tttt -69.33 -60.2 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.82 -26.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 35' ' ' LYS . 40.4 p -96.7 -30.57 13.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.547 HG13 ' HE ' ' A' ' 77' ' ' ARG . 6.2 t -83.76 -59.86 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.462 ' HG2' ' CG ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -55.56 -21.47 17.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.689 ' HB3' HD21 ' A' ' 42' ' ' LEU . 39.1 mtp180 -99.04 -13.4 19.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.5 m120 63.98 42.36 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 40' ' ' ARG . 11.2 mt -84.64 166.23 17.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.4 m -151.59 118.78 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.526 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 7.2 m-85 -100.5 154.47 18.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 45' ' ' THR . 3.0 t -106.22 119.15 38.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.522 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 27.5 t -69.82 114.91 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.0 mtm-85 -81.81 24.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.534 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . . . -146.9 -174.98 4.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -77.6 41.76 0.34 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 42.24 38.36 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.817 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.431 ' C ' ' OD1' ' A' ' 51' ' ' ASN . 9.6 p30 -128.55 13.53 6.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.534 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 4.5 m -58.54 133.29 85.65 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.734 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 103.33 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.504 HD12 ' HB2' ' A' ' 66' ' ' ARG . 34.4 mm -92.2 81.46 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -113.55 -179.63 3.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 57' ' ' HIS . 2.7 tp-100 -91.14 -43.3 9.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 56' ' ' GLN . 81.6 m-70 -34.21 -46.28 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.401 ' CB ' ' OE1' ' A' ' 61' ' ' GLN . 20.5 m170 -98.42 161.22 13.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -109.29 -51.66 2.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -79.16 98.12 6.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.401 ' OE1' ' CB ' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -133.06 172.88 12.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 46.0 t -52.88 145.45 12.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.526 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 19.8 mt-30 -86.3 -53.71 4.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.522 ' CD1' ' HB2' ' A' ' 46' ' ' CYS . 3.9 t80 -56.59 -59.25 5.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.415 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 41.6 m -47.4 -49.88 23.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.504 ' HB2' HD12 ' A' ' 54' ' ' ILE . 57.7 ttt180 -62.01 -64.8 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.874 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -46.18 -39.87 10.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.658 ' N ' HD13 ' A' ' 67' ' ' LEU . 20.5 mmtp -69.57 -50.55 43.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.476 ' O ' HG13 ' A' ' 73' ' ' VAL . 4.5 ttmt -38.05 -28.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.469 ' N ' ' O ' ' A' ' 68' ' ' LYS . 59.2 m -66.26 -51.77 54.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.8 mt -67.17 -14.99 63.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.01 -53.54 4.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.703 HG11 ' O ' ' A' ' 11' ' ' VAL . 27.7 m -54.22 -39.08 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 155.93 -35.07 0.62 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.622 ' HE3' ' CD2' ' A' ' 34' ' ' PHE . 39.3 mmm -33.62 135.69 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.74 0.305 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -114.74 134.25 55.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.547 ' HE ' HG13 ' A' ' 38' ' ' VAL . 72.0 mtp180 -68.06 -43.35 78.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -42.82 -45.03 4.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.48 -46.96 76.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.49 HG22 ' CE1' ' A' ' 22' ' ' TYR . 59.3 t -50.59 -48.16 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -128.31 120.86 27.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -116.93 173.16 6.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.56 -144.34 10.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.5 m -135.13 158.9 43.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 110.889 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 148.57 -156.1 26.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -1.8 9.12 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.278 . . . . 0.0 112.332 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 83.2 p -69.77 118.57 12.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.2 t -117.0 126.77 53.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.496 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 t -73.3 86.12 1.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 m -99.89 89.34 4.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.41 102.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.44 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -44.56 114.83 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.854 0.359 . . . . 0.0 110.88 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -117.93 150.35 39.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.13 174.39 17.02 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.499 ' CD1' ' CE1' ' A' ' 25' ' ' PHE . 51.4 mt -81.17 153.31 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.783 0.325 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.409 ' N ' HG22 ' A' ' 8' ' ' ILE . 20.3 mp0 -109.86 160.49 16.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.509 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.7 t -77.33 121.34 23.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.471 ' O ' HG11 ' A' ' 73' ' ' VAL . 29.4 m -70.55 3.04 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.408 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 93.4 t -108.51 -53.35 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 56' ' ' GLN . 29.0 p -116.63 -13.43 10.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 10' ' ' CYS . . . 95.55 -16.33 61.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 10' ' ' CYS . 47.0 t0 -51.41 138.0 22.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.875 0.369 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -42.92 97.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.2 t -47.23 139.54 6.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.407 ' HB3' ' CD ' ' A' ' 28' ' ' GLU . 59.8 p -90.59 22.5 3.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.43 178.42 19.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.581 ' HE3' ' CD1' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -66.55 113.17 4.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.428 ' NE2' ' HD3' ' A' ' 31' ' ' LYS . 5.0 m-70 -125.01 126.02 44.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.53 ' CE1' HG22 ' A' ' 80' ' ' VAL . 39.3 m-85 57.95 32.84 22.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.87 14.72 82.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.407 ' HA ' ' HZ3' ' A' ' 20' ' ' LYS . 5.7 tp-100 -152.02 137.4 17.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.581 ' CD1' ' HE3' ' A' ' 20' ' ' LYS . 39.1 m-85 -68.35 116.45 8.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -147.56 149.07 31.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.141 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.6 p -65.67 177.0 1.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' CD ' ' HB3' ' A' ' 18' ' ' SER . 25.0 mp0 -75.52 -25.35 57.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.47 -41.3 90.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 79.6 m -85.25 -39.63 17.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.903 0.382 . . . . 0.0 110.912 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.428 ' HD3' ' NE2' ' A' ' 21' ' ' HIS . 8.4 ttpp -44.83 -46.3 10.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.7 t -80.35 -45.29 18.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.546 ' CE2' ' HG2' ' A' ' 66' ' ' ARG . 72.4 t80 -54.48 -28.72 46.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.639 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 43.9 t80 -74.58 -52.68 11.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 37' ' ' SER . 7.8 ttmt -60.99 -63.04 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 35' ' ' LYS . 5.3 ptp180 -34.75 -31.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 35' ' ' LYS . 74.5 p -93.75 -39.83 10.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.695 HG13 ' HE ' ' A' ' 77' ' ' ARG . 40.5 t -70.23 -61.74 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.087 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.461 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -54.23 -28.4 41.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 61.6 mtp85 -91.33 -20.9 21.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 68.59 43.74 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 37' ' ' SER . 14.0 mt -81.9 175.63 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.0 m -160.83 105.56 1.39 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -90.66 142.19 28.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.2 m -100.74 99.26 9.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.8 t -59.61 109.16 0.85 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 39.4 tpt85 -61.65 -15.55 40.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -92.96 -172.04 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.413 ' O ' ' ND2' ' A' ' 51' ' ' ASN . 4.7 m-80 -79.36 34.54 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.446 ' NH1' ' HB2' ' A' ' 50' ' ' ARG . 12.3 mtp-105 42.08 39.7 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 49' ' ' ASN . 79.6 m-20 -131.94 14.98 4.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 15.6 m -52.65 133.17 46.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.649 0.737 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 87.87 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.364 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.438 HD12 ' HB2' ' A' ' 66' ' ' ARG . 26.1 mm -74.4 105.03 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.49 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 4.1 t70 -139.55 -177.46 4.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -84.15 -43.94 14.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.544 ' O ' ' CD2' ' A' ' 58' ' ' HIS . 11.6 m-70 -77.62 48.97 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.544 ' CD2' ' O ' ' A' ' 57' ' ' HIS . 36.1 m170 -149.38 126.39 11.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 46.1 mtp85 -94.32 145.21 24.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 61.55 44.03 9.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 16.6 mt-30 -59.95 143.31 51.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 43.2 t -46.96 133.36 11.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -68.79 -61.04 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.542 ' CZ ' ' HG3' ' A' ' 68' ' ' LYS . 42.2 t80 -53.12 -71.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' TYR . 58.0 m -36.82 -57.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.546 ' HG2' ' CE2' ' A' ' 33' ' ' PHE . 34.9 ttt180 -53.74 -49.85 67.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.805 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -55.95 -50.3 71.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.657 ' N ' HD13 ' A' ' 67' ' ' LEU . 53.2 mmtt -58.96 -50.52 73.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.427 ' O ' HG22 ' A' ' 73' ' ' VAL . 6.0 ttmt -37.53 -27.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 68' ' ' LYS . 82.0 m -67.23 -52.01 46.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.471 HD21 ' CG ' ' A' ' 77' ' ' ARG . 20.9 mt -68.15 -12.74 61.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 7.9 tmtm? -89.94 -56.64 3.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.471 HG11 ' O ' ' A' ' 11' ' ' VAL . 30.5 m -52.83 -38.15 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 152.14 -30.56 0.89 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 74' ' ' GLY . 63.4 mtp -35.72 122.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 79' ' ' ALA . 15.7 ptt85 -100.89 135.1 42.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.695 ' HE ' HG13 ' A' ' 38' ' ' VAL . 69.7 mtp180 -69.47 -44.62 70.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -41.62 -36.2 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 76' ' ' ARG . . . -63.07 -53.66 50.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.53 HG22 ' CE1' ' A' ' 22' ' ' TYR . 92.7 t -42.42 -41.11 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -118.92 107.59 13.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -76.31 -58.78 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -67.93 -98.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 m 53.87 42.97 31.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.922 0.392 . . . . 0.0 110.837 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 138.09 126.13 2.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -3.39 11.88 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 88' ' ' SER . 1.0 OUTLIER -78.05 105.07 9.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.845 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 87' ' ' SER . 36.8 m 34.28 45.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.09 -0.839 . . . . 0.0 112.453 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t 67.03 42.68 2.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.362 . . . . 0.0 110.883 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.8 p -125.93 140.39 52.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.59 88.99 0.14 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.487 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 m -76.54 -54.12 7.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.826 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -90.84 98.6 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.69 130.13 2.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.45 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.0 mt -89.63 145.87 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 111.108 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -110.37 164.11 13.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 15' ' ' ASP . 41.9 t -81.74 121.23 26.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 25' ' ' PHE . 30.4 m -70.24 2.0 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.424 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 57.3 t -106.33 -57.8 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.5 p -112.4 -15.39 13.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 98.2 -15.7 61.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 10' ' ' CYS . 23.2 t70 -51.81 141.02 18.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.895 0.379 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -45.81 99.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.2 t -54.28 137.74 40.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.7 p -80.06 -24.34 40.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 169.87 -169.11 41.9 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HE2' ' CE2' ' A' ' 25' ' ' PHE . 7.0 ttmm -86.78 85.95 7.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.788 0.328 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -96.52 132.08 42.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.442 ' CE1' HG22 ' A' ' 80' ' ' VAL . 30.8 m-85 58.42 41.21 23.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.963 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.05 19.77 64.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -152.24 144.3 23.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.945 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.455 ' O ' HG22 ' A' ' 11' ' ' VAL . 58.2 m-85 -79.88 116.29 19.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.437 HG21 ' SD ' ' A' ' 75' ' ' MET . 25.5 p -150.47 139.81 21.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.0 p -55.79 168.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -65.97 -29.0 69.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.66 -44.74 95.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 76.1 m -83.34 -32.34 26.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.476 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -53.88 -50.39 66.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.476 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 47.9 t -76.2 -37.83 57.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -61.64 -33.88 74.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.602 ' O ' HG23 ' A' ' 38' ' ' VAL . 41.3 t80 -70.69 -42.83 70.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 37' ' ' SER . 18.8 tttm -67.47 -65.52 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' A' ' 37' ' ' SER . 7.0 ptm180 -35.01 -30.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 35' ' ' LYS . 10.1 p -89.16 -47.62 7.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 34' ' ' PHE . 85.8 t -68.04 -62.47 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.442 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -48.42 -28.65 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.481 ' HB3' HD21 ' A' ' 42' ' ' LEU . 44.7 mtp180 -93.53 -21.79 19.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.4 t30 73.83 33.1 1.03 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.481 HD21 ' HB3' ' A' ' 40' ' ' ARG . 15.2 mt -72.81 171.45 12.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.2 m -158.75 105.94 1.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.411 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 2.4 m-85 -90.77 150.37 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.0 t -108.22 131.12 55.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.165 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.1 t -97.02 91.23 5.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -50.2 -17.78 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.27 -173.19 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -82.11 33.36 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.8 mtm180 41.35 43.16 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.494 ' O ' ' CG ' ' A' ' 51' ' ' ASN . 0.1 OUTLIER -118.76 1.83 11.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.5 m -45.28 119.3 4.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.634 0.73 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 83.84 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.309 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.599 HD12 ' HB2' ' A' ' 66' ' ' ARG . 38.2 mm -62.04 97.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.455 ' O ' ' CD ' ' A' ' 61' ' ' GLN . 3.6 t70 -131.92 163.06 29.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.456 ' O ' ' C ' ' A' ' 57' ' ' HIS . 4.8 tp-100 -66.57 -46.7 75.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.456 ' C ' ' O ' ' A' ' 56' ' ' GLN . 76.0 m-70 -34.12 -60.06 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -69.85 139.68 53.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -92.4 -29.9 16.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -108.52 65.0 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.455 ' CD ' ' O ' ' A' ' 55' ' ' ASP . 7.1 mt-30 -76.06 144.42 40.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 61' ' ' GLN . 53.9 t -36.67 154.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.411 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 12.7 mt-30 -89.81 -54.01 4.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -61.56 -59.57 5.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.403 ' HB2' HD11 ' A' ' 54' ' ' ILE . 88.9 m -49.87 -50.53 45.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.599 ' HB2' HD12 ' A' ' 54' ' ' ILE . 53.4 ttt180 -61.37 -58.13 9.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.7 ' C ' HD13 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -49.59 -45.39 47.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.627 ' N ' HD13 ' A' ' 67' ' ' LEU . 2.9 mmmm -64.16 -49.55 71.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' LYS . 3.1 ttmt -37.08 -28.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 68' ' ' LYS . 79.4 m -66.78 -49.27 66.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.489 HD11 ' NH2' ' A' ' 77' ' ' ARG . 20.8 mt -69.4 -12.28 61.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -90.05 -56.98 3.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.447 ' CG2' ' HG3' ' A' ' 75' ' ' MET . 29.1 m -54.65 -33.64 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 150.15 -34.42 1.01 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.447 ' HG3' ' CG2' ' A' ' 73' ' ' VAL . 46.6 mtp -34.82 110.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.776 0.322 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -95.56 135.4 37.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.489 ' NH2' HD11 ' A' ' 71' ' ' LEU . 59.1 mtt180 -65.82 -44.18 86.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -41.79 -34.29 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.15 -52.33 42.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.074 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.442 HG22 ' CE1' ' A' ' 22' ' ' TYR . 80.7 t -44.0 -50.85 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -164.34 165.52 21.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -118.47 131.27 56.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 169.71 -114.86 0.57 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.501 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.0 t -75.84 145.58 40.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.843 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 164.11 83.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 0.8 5.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.293 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.6 m -140.18 125.76 19.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.7 t -172.23 122.69 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.517 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 m -86.99 174.48 8.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.823 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.5 p -82.49 46.65 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -161.68 -164.67 17.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.464 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 4' ' ' GLY . 78.3 p -34.94 123.92 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.863 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -119.5 90.1 3.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.22 167.27 2.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.444 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.8 mt -85.52 146.57 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.331 . . . . 0.0 111.127 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -109.02 165.26 11.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.7 t -84.37 123.27 30.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.419 ' O ' HG11 ' A' ' 73' ' ' VAL . 30.6 m -72.25 4.85 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.5 t -110.34 -54.5 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.3 p -116.55 -12.93 10.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 97.05 -21.99 43.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 10' ' ' CYS . 31.2 t70 -45.33 139.45 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.926 0.394 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -46.15 102.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.3 t -54.24 144.98 18.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.9 t -89.73 -12.76 38.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 157.32 -170.49 34.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.487 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 16.9 ttmt -84.85 78.65 9.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.33 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -88.46 135.53 33.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.796 ' CE1' HG22 ' A' ' 80' ' ' VAL . 25.2 m-85 55.17 34.69 23.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.76 22.37 76.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -152.05 144.81 24.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.909 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.512 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 46.4 m-85 -79.37 110.9 15.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.6 p -143.86 160.28 41.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.9 p -76.08 177.54 7.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -73.82 -28.61 61.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.27 -40.5 94.75 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 76.4 m -86.24 -37.26 18.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -47.39 -53.59 13.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.0 t -75.29 -46.18 35.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.542 ' CE2' ' HD3' ' A' ' 66' ' ' ARG . 61.8 t80 -50.12 -33.2 18.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.745 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 43.5 t80 -74.92 -46.95 32.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.3 ttpm? -64.47 -63.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' LYS . 2.5 ptm180 -38.03 -26.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 35' ' ' LYS . 65.4 p -98.28 -39.35 8.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.745 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 73.0 t -73.94 -57.35 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.473 ' HB3' HG12 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -58.95 -23.87 61.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.416 ' C ' ' OD1' ' A' ' 41' ' ' ASN . 28.8 mtt180 -97.24 -20.55 17.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.416 ' OD1' ' C ' ' A' ' 40' ' ' ARG . 1.1 m120 68.69 54.81 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 37' ' ' SER . 13.4 mt -94.62 177.09 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.3 m -154.23 115.82 4.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -94.96 135.44 36.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 46' ' ' CYS . 21.4 m -98.54 87.59 3.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.508 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 45.4 t -37.83 114.4 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -77.86 11.07 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -129.24 -172.71 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.449 ' O ' ' CG ' ' A' ' 51' ' ' ASN . 17.6 m-80 -79.55 39.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.466 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 67.0 mtp180 40.63 37.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 49' ' ' ASN . 63.4 m-20 -124.68 13.15 8.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.9 m -59.1 127.31 83.68 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.637 0.732 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 89.39 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.73 2.287 . . . . 0.0 112.314 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.766 HG23 ' OE1' ' A' ' 61' ' ' GLN . 50.0 mm -71.38 98.75 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -147.06 160.63 42.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 58' ' ' HIS . 2.3 tp-100 -56.75 -67.04 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.488 ' O ' ' C ' ' A' ' 58' ' ' HIS . 8.0 m170 33.83 35.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.488 ' C ' ' O ' ' A' ' 57' ' ' HIS . 9.8 p-80 30.76 47.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -154.97 154.23 32.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -54.9 178.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.766 ' OE1' HG23 ' A' ' 54' ' ' ILE . 3.6 pt20 -165.94 154.69 11.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 61' ' ' GLN . 35.4 t -35.73 151.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -87.52 -47.83 8.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.508 ' CD2' ' HB2' ' A' ' 46' ' ' CYS . 7.2 t80 -66.45 -66.86 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.48 ' N ' ' CD2' ' A' ' 64' ' ' TYR . 81.8 m -40.96 -45.38 2.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.736 ' HB2' HD12 ' A' ' 54' ' ' ILE . 13.8 ttt180 -68.89 -45.1 71.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.78 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.5 OUTLIER -57.75 -48.56 79.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.539 ' N ' HD13 ' A' ' 67' ' ' LEU . 13.4 mmmm -63.19 -50.92 68.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -38.44 -26.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 68' ' ' LYS . 77.6 m -68.77 -48.36 63.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' LYS . 31.4 mt -69.51 -13.9 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 1.7 tmtp? -87.66 -58.13 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.436 ' CG2' ' HG3' ' A' ' 75' ' ' MET . 28.5 m -50.83 -37.56 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 152.41 -33.42 0.84 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.436 ' HG3' ' CG2' ' A' ' 73' ' ' VAL . 47.2 mtp -35.67 111.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.721 0.296 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -96.56 131.4 43.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.0 mtm180 -57.49 -47.47 81.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.825 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -41.25 -40.24 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.33 -50.1 74.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.063 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.796 HG22 ' CE1' ' A' ' 22' ' ' TYR . 55.4 t -54.35 -46.08 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -146.52 129.27 16.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -107.82 -47.92 3.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -109.18 103.83 1.84 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 49.2 m -92.16 -48.66 6.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.913 0.387 . . . . 0.0 110.845 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 162.79 -162.94 34.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.457 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 85.82 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.722 2.281 . . . . 0.0 112.336 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 t -136.0 168.54 19.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.3 p -154.13 146.85 24.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.494 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 m -121.1 162.5 19.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -129.09 134.63 48.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -82.31 36.55 2.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.49 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 4' ' ' GLY . 58.6 m 34.11 47.11 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 m -101.81 41.54 1.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.97 173.15 13.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.443 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.596 HD13 ' CE1' ' A' ' 25' ' ' PHE . 39.3 mt -77.99 153.35 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.744 0.307 . . . . 0.0 111.173 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -111.99 166.86 10.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.2 t -81.37 120.61 25.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.457 ' O ' HG11 ' A' ' 73' ' ' VAL . 28.0 m -69.66 1.81 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.413 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 49.7 t -106.11 -55.15 5.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.7 p -112.76 -17.75 12.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 10' ' ' CYS . . . 97.18 -7.01 64.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.473 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 10' ' ' CYS . 21.5 t70 -64.01 139.85 58.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.9 0.381 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.83 104.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.8 t -61.95 141.85 57.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.0 t -82.67 -25.19 33.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.71 167.84 31.64 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 9.9 ttmm -70.71 79.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.571 ' CD2' ' HG3' ' A' ' 31' ' ' LYS . 3.4 t60 -90.01 136.2 33.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.45 ' CE2' ' HD2' ' A' ' 21' ' ' HIS . 35.8 m-85 58.9 46.45 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.19 16.08 47.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 21' ' ' HIS . 5.4 tp-100 -149.88 155.24 39.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.596 ' CE1' HD13 ' A' ' 8' ' ' ILE . 38.2 m-85 -89.83 115.65 27.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.879 HG21 ' SD ' ' A' ' 75' ' ' MET . 80.2 p -140.49 151.84 45.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.5 p -73.07 176.44 5.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -73.15 -18.68 61.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.58 -39.16 30.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.464 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 72.3 m -90.3 -37.74 13.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.919 0.39 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.571 ' HG3' ' CD2' ' A' ' 21' ' ' HIS . 14.5 ttpt -42.47 -45.41 4.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 93.1 p -82.21 -45.47 15.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.41 ' CB ' HH21 ' A' ' 66' ' ' ARG . 62.1 t80 -49.94 -35.09 22.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.827 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.9 ' O ' HG23 ' A' ' 38' ' ' VAL . 53.0 t80 -72.78 -45.89 56.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 36' ' ' ARG . 14.3 ttpt -68.04 -64.29 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.4 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 4.2 ptp180 -39.46 -30.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.7 p -89.15 -41.26 12.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 34' ' ' PHE . 85.2 t -72.9 -60.19 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.495 ' HG3' ' N ' ' A' ' 40' ' ' ARG . 2.0 ptp180 -50.12 -33.98 20.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.495 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 26.7 mtp180 -91.39 -18.08 24.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.831 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.1 m120 67.64 36.13 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.8 mt -67.36 172.64 4.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.5 m -153.46 109.3 3.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.534 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 4.7 m-85 -96.05 155.78 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 45' ' ' THR . 1.9 t -109.37 121.16 44.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.185 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 44.2 t -73.18 117.73 15.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.807 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.2 mtt85 -80.75 19.58 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.594 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . . . -141.64 -174.97 4.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -78.07 42.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 43.61 32.09 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -124.08 14.98 9.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.594 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 6.3 m -56.26 128.68 73.27 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.647 0.737 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 89.24 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.343 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.51 HG23 ' OE1' ' A' ' 61' ' ' GLN . 42.3 mm -71.35 109.19 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.569 ' OD2' ' CD2' ' A' ' 58' ' ' HIS . 2.2 p-10 -133.85 177.78 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' HIS . 3.0 tp-100 -94.8 -30.27 14.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.422 ' C ' ' O ' ' A' ' 56' ' ' GLN . 16.9 m-70 -36.57 -62.14 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.569 ' CD2' ' OD2' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -90.74 -178.39 5.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -124.65 -35.67 2.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -78.86 53.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.51 ' OE1' HG23 ' A' ' 54' ' ' ILE . 6.4 pt20 -85.61 162.41 18.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 52.4 t -49.44 147.84 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.534 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 36.1 mt-30 -86.1 -57.5 3.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.509 ' CZ ' ' HG3' ' A' ' 68' ' ' LYS . 18.7 t80 -56.82 -61.5 2.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 57.7 m -47.51 -57.17 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.423 ' HB2' HD12 ' A' ' 54' ' ' ILE . 40.7 ttt180 -49.93 -50.0 47.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.416 ' HG ' ' N ' ' A' ' 68' ' ' LYS . 1.5 tp -58.09 -57.94 10.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.509 ' HG3' ' CZ ' ' A' ' 64' ' ' TYR . 25.2 mmmt -49.77 -49.78 47.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.465 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.6 OUTLIER -39.3 -25.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.483 ' N ' ' O ' ' A' ' 68' ' ' LYS . 56.2 m -75.73 -48.87 20.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 68' ' ' LYS . 39.0 mt -67.58 -9.79 46.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -95.98 -58.28 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 69' ' ' LYS . 24.1 m -48.08 -36.11 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 151.75 -26.1 0.94 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.879 ' SD ' HG21 ' A' ' 26' ' ' THR . 69.0 mtp -50.1 116.99 2.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.747 0.308 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.44 ' HB2' ' CD ' ' A' ' 78' ' ' GLU . 26.6 ptt180 -98.57 160.07 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.496 ' HE ' HG13 ' A' ' 38' ' ' VAL . 40.4 mtp180 -83.49 -47.46 11.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.44 ' CD ' ' HB2' ' A' ' 76' ' ' ARG . 17.0 pm0 -42.58 -28.97 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.54 -51.28 52.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.101 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 67.3 t -52.49 -36.48 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -138.43 117.99 13.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -70.33 124.75 24.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 133.31 66.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.439 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.0 m -116.43 86.58 2.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.89 0.376 . . . . 0.0 110.853 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 136.89 -131.91 5.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.526 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 130.95 20.27 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.342 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 95.0 p -41.56 -44.64 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 72.0 p -65.08 143.91 57.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.817 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.44 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 3' ' ' SER . 89.1 p -127.47 174.02 9.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.944 0.402 . . . . 0.0 110.81 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 2' ' ' SER . 34.9 t -35.06 -58.86 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.857 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.66 105.27 2.62 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -85.67 86.35 7.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 110.837 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.3 m -102.9 -46.85 4.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.34 163.96 25.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.537 HD13 ' CE1' ' A' ' 25' ' ' PHE . 18.1 mt -84.43 143.22 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.728 0.299 . . . . 0.0 111.169 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -104.03 168.27 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 15' ' ' ASP . 49.7 t -84.01 127.16 33.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.65 ' O ' HG11 ' A' ' 73' ' ' VAL . 15.9 m -75.83 9.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.4 t -115.53 -57.65 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.6 p -110.33 -16.45 13.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.92 -14.59 62.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.52 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 10' ' ' CYS . 36.8 t0 -55.67 141.82 36.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.919 0.39 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.91 104.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 8' ' ' ILE . 13.6 t -51.48 143.54 11.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.0 p -101.39 29.69 4.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.98 176.59 15.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -89.0 79.34 7.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.793 0.33 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -90.92 128.56 36.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.826 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.529 ' CE1' HG22 ' A' ' 80' ' ' VAL . 25.4 m-85 67.63 38.62 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.02 22.51 62.68 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.507 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.452 ' HG3' HG21 ' A' ' 11' ' ' VAL . 4.8 tp-100 -151.48 142.32 22.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.934 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.537 ' CE1' HD13 ' A' ' 8' ' ' ILE . 19.1 m-85 -77.65 105.94 9.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.648 HG21 ' SD ' ' A' ' 75' ' ' MET . 34.2 p -137.64 150.96 47.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.3 p -69.98 170.68 10.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -65.81 -35.13 79.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.39 -38.86 96.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.514 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 75.0 m -87.87 -39.0 15.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.361 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -44.26 -50.87 8.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.1 t -77.7 -47.93 17.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.8 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -47.49 -36.91 10.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.779 ' O ' HG23 ' A' ' 38' ' ' VAL . 64.5 t80 -70.49 -50.42 38.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 38' ' ' VAL . 14.8 ttpt -62.97 -62.65 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' LYS . 8.3 ptm180 -37.93 -28.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 35' ' ' LYS . 59.9 p -94.93 -35.16 12.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 34' ' ' PHE . 94.9 t -77.42 -67.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.406 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -47.82 -27.42 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.489 ' HB3' HD21 ' A' ' 42' ' ' LEU . 47.8 mtt180 -93.26 -20.47 20.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' VAL . 10.5 t-20 70.64 32.31 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 40' ' ' ARG . 17.7 mt -66.92 169.99 7.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.8 m -151.88 109.99 3.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -93.82 149.29 21.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.0 m -112.65 97.88 6.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.137 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.4 t -58.89 106.11 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -62.54 -8.02 5.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.95 -173.46 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -80.95 35.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 46.7 mtt-85 44.67 39.57 3.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 51.9 p30 -130.04 17.11 5.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.5 m -60.96 132.73 92.21 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 103.45 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.682 2.255 . . . . 0.0 112.358 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.62 HG23 ' HG3' ' A' ' 61' ' ' GLN . 25.5 mm -85.04 115.86 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.168 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.6 p30 -150.84 171.69 16.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' HIS . 4.1 tp-100 -87.35 -51.42 5.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' GLN . 45.0 m-70 -37.21 -55.47 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -58.26 127.36 31.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -43.06 -68.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -123.82 145.6 48.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.62 ' HG3' HG23 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -131.54 158.42 40.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 61' ' ' GLN . 49.3 t -36.24 150.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -84.8 -60.63 2.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.53 ' CD1' ' N ' ' A' ' 65' ' ' CYS . 2.4 t80 -54.02 -63.66 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.53 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 64.2 m -43.78 -61.12 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.4 ' HD2' ' CD ' ' A' ' 61' ' ' GLN . 56.0 ttt180 -49.03 -47.88 44.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.0 tp -57.41 -56.84 16.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -48.47 -47.38 38.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.529 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.3 ttmt -45.02 -24.99 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.0 m -73.04 -53.43 11.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.5 mt -64.56 -11.83 38.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 73' ' ' VAL . 0.6 OUTLIER -93.04 -59.62 2.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.65 HG11 ' O ' ' A' ' 11' ' ' VAL . 24.1 m -44.96 -31.86 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 147.58 -30.27 1.42 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.648 ' SD ' HG21 ' A' ' 26' ' ' THR . 74.2 mtp -41.85 117.66 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 110.848 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -102.0 144.43 30.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 78' ' ' GLU . 89.9 mtm-85 -70.68 -48.03 56.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 77' ' ' ARG . 10.8 pt-20 -34.62 -44.65 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 78' ' ' GLU . . . -60.55 -53.45 57.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.529 HG22 ' CE1' ' A' ' 22' ' ' TYR . 61.7 t -42.82 -47.44 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.92 136.13 30.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -76.26 83.65 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -114.96 99.65 0.93 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.48 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.2 t -99.24 81.31 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.379 . . . . 0.0 110.842 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 177.23 154.65 12.33 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 162.08 43.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.732 2.288 . . . . 0.0 112.337 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.6 t -101.53 42.51 1.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.0 m -68.51 -61.28 1.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.502 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 3' ' ' SER . 3.2 m -73.45 -54.56 7.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 2' ' ' SER . 7.5 t -37.03 101.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.67 156.48 8.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.481 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -112.91 79.61 1.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.915 0.388 . . . . 0.0 110.855 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -64.65 172.65 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.76 157.59 4.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.497 HG21 ' CG ' ' A' ' 25' ' ' PHE . 6.9 mt -88.01 147.39 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.774 0.321 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.7 170.0 8.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 15' ' ' ASP . 43.6 t -80.62 125.47 30.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.716 ' O ' HG11 ' A' ' 73' ' ' VAL . 16.7 m -75.11 7.69 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.7 t -113.66 -53.39 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 56' ' ' GLN . 26.6 p -113.58 -17.32 12.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 95.49 -4.39 66.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.451 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 10' ' ' CYS . 21.8 t70 -66.62 139.93 57.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -41.02 107.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 t -60.9 149.02 37.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.0 p -100.9 15.84 27.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.28 172.29 13.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -73.86 76.76 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -83.82 118.9 24.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.483 ' CD2' ' HE3' ' A' ' 75' ' ' MET . 30.5 m-85 70.09 40.28 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.69 15.42 64.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.425 ' NE2' ' HA3' ' A' ' 74' ' ' GLY . 5.6 tp-100 -146.13 148.57 32.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.941 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.497 ' CG ' HG21 ' A' ' 8' ' ' ILE . 36.8 m-85 -83.26 104.89 13.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.1 p -138.1 154.06 49.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.6 p -71.39 173.32 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -69.37 -30.65 68.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.56 -45.33 96.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 61.3 m -83.74 -37.4 22.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.929 0.395 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -45.1 -55.44 5.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -71.44 -42.98 67.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.436 ' CE2' ' HG2' ' A' ' 66' ' ' ARG . 74.1 t80 -52.97 -35.27 58.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.56 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 42.5 t80 -70.19 -47.01 63.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.561 ' HG2' ' N ' ' A' ' 36' ' ' ARG . 11.4 ttmt -65.0 -67.87 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.561 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 5.8 ptm180 -34.99 -31.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.817 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 35' ' ' LYS . 35.5 p -89.9 -41.97 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.56 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 28.8 t -70.56 -57.4 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.492 ' HG3' ' N ' ' A' ' 40' ' ' ARG . 1.3 ptp180 -54.02 -33.28 56.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.492 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 26.0 mtp180 -90.79 -19.13 23.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 m120 69.21 38.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.6 mt -72.71 167.92 19.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 89.9 m -152.13 111.04 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -99.72 158.14 15.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.0 t -113.48 140.09 48.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.511 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 11.1 t -105.24 97.38 7.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -51.93 -16.61 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.511 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . . . -88.24 -172.41 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -79.57 23.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.43 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 80.7 mtt85 53.88 39.54 30.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -130.46 20.23 5.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.3 m -59.63 128.17 85.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.626 0.726 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 90.52 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.246 . . . . 0.0 112.354 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.2 mm -71.96 93.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.527 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 8.0 t0 -114.26 -173.74 2.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' HIS . 3.7 tp-100 -106.47 -38.81 6.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.416 ' C ' ' O ' ' A' ' 56' ' ' GLN . 25.3 m-70 -36.84 -61.54 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -80.29 149.16 30.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.424 ' HD3' ' C ' ' A' ' 59' ' ' ARG . 0.6 OUTLIER -81.41 -37.26 28.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.403 ' C ' ' HG2' ' A' ' 61' ' ' GLN . 38.8 m-20 -77.57 134.29 38.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 41.9 mm-40 -149.86 148.73 29.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.7 t -64.58 125.3 24.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -56.07 -68.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.536 ' CZ ' ' HG3' ' A' ' 68' ' ' LYS . 18.5 t80 -47.55 -72.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.528 ' N ' ' CD2' ' A' ' 64' ' ' TYR . 36.3 m -36.45 -50.16 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.436 ' HG2' ' CE2' ' A' ' 33' ' ' PHE . 27.0 ttt180 -59.13 -63.48 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.777 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -46.6 -51.81 14.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.65 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.3 mmmp? -58.86 -51.87 68.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -37.03 -28.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' A' ' 68' ' ' LYS . 70.8 m -65.17 -53.27 47.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.471 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 11.9 mt -66.17 -9.97 36.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -94.11 -56.97 2.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.716 HG11 ' O ' ' A' ' 11' ' ' VAL . 26.6 m -52.72 -35.34 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.425 ' HA3' ' NE2' ' A' ' 24' ' ' GLN . . . 150.32 -29.79 1.08 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.521 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.504 ' HE3' ' CD2' ' A' ' 34' ' ' PHE . 33.1 mmm -41.47 132.15 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.82 0.343 . . . . 0.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -109.31 148.12 31.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.471 ' HG3' ' CD2' ' A' ' 71' ' ' LEU . 43.3 mtp180 -79.77 -38.05 34.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -50.68 -30.44 13.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.63 -50.74 48.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.43 HG21 ' HB ' ' A' ' 38' ' ' VAL . 80.8 t -41.31 -43.3 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -109.91 69.13 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.3 ttp85 -142.99 131.42 22.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 110.0 89.48 1.98 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.7 t -78.71 144.04 35.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.912 0.387 . . . . 0.0 110.839 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 155.16 78.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.523 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 87' ' ' SER . 53.6 Cg_endo -69.75 -46.84 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 86' ' ' PRO . 2.5 t -36.86 -61.17 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.8 p -53.02 94.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.834 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.506 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 p -93.44 -43.46 8.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.3 p -137.66 174.84 10.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.81 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.74 156.24 40.23 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 p -139.39 124.23 18.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.925 0.393 . . . . 0.0 110.833 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -105.15 45.92 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.49 177.21 16.42 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.432 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.6 mt -90.07 144.72 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.776 0.322 . . . . 0.0 111.134 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -111.76 163.97 13.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.5 t -79.04 125.32 29.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.489 ' O ' HG11 ' A' ' 73' ' ' VAL . 22.1 m -75.01 6.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.643 HG11 ' NE ' ' A' ' 66' ' ' ARG . 83.0 t -112.29 -54.32 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.438 ' HB2' ' CA ' ' A' ' 56' ' ' GLN . 29.0 p -115.96 -14.1 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 96.72 -15.6 62.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 10' ' ' CYS . 36.6 t0 -50.48 140.06 14.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.366 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -47.89 107.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.3 t -63.58 143.1 58.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.4 p -89.41 -14.23 35.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 161.14 -177.24 37.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.414 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 5.3 ttmm -77.28 95.48 4.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -104.26 124.36 49.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 62.36 44.69 7.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.69 19.01 57.78 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.53 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -151.73 141.51 21.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.341 . . . . 0.0 110.932 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.414 ' CE1' ' HB2' ' A' ' 20' ' ' LYS . 38.7 m-85 -76.97 107.66 9.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.617 HG21 ' SD ' ' A' ' 75' ' ' MET . 27.6 p -140.37 146.13 38.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.4 p -64.22 164.53 10.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -63.5 -30.24 71.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.96 -35.95 91.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.42 ' HB3' ' NH2' ' A' ' 66' ' ' ARG . 83.0 m -88.02 -39.11 14.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -48.37 -47.71 37.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 85.3 p -72.38 -54.22 10.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.575 ' CE1' ' HG3' ' A' ' 66' ' ' ARG . 3.6 t80 -46.27 -37.07 6.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.734 ' O ' HG23 ' A' ' 38' ' ' VAL . 42.8 t80 -67.26 -50.52 60.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 37' ' ' SER . 18.2 ttpt -60.94 -63.9 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' LYS . 13.6 ptt180 -36.95 -28.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 35' ' ' LYS . 95.9 p -96.71 -35.53 10.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 34' ' ' PHE . 73.4 t -75.02 -56.01 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.423 ' HD3' ' C ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -60.49 -24.85 65.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.401 ' HG2' ' HD3' ' A' ' 39' ' ' ARG . 42.8 mtt180 -97.56 -18.13 19.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.1 m120 65.39 53.79 1.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.1 mt -93.19 143.2 26.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.1 m -126.09 86.96 2.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.523 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 20.6 m-85 -60.75 149.62 35.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.4 m -105.35 99.65 9.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.162 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.5 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 51.0 t -59.08 110.29 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.01 19.35 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.406 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . . . -133.26 -171.83 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 51' ' ' ASN . 6.1 m120 -79.09 40.76 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.498 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 43.9 mtm180 37.56 30.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' ASN . 1.4 p-10 -120.41 14.28 11.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 6.4 m -58.04 129.99 82.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.588 0.709 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 112.54 3.11 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.359 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.487 HD12 ' HB2' ' A' ' 66' ' ' ARG . 38.3 mm -96.55 99.31 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.447 ' O ' ' CD ' ' A' ' 61' ' ' GLN . 2.4 m-20 -132.35 -178.05 4.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.512 ' HG3' ' CD2' ' A' ' 57' ' ' HIS . 3.3 tp-100 -88.2 -52.75 5.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.512 ' CD2' ' HG3' ' A' ' 56' ' ' GLN . 2.2 m-70 -92.8 50.13 1.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -128.39 158.37 38.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 60' ' ' ASN . 17.5 mmm180 -57.54 -177.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 59' ' ' ARG . 26.3 t-20 -34.93 107.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.447 ' CD ' ' O ' ' A' ' 55' ' ' ASP . 24.3 mt-30 -78.36 115.84 18.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 61' ' ' GLN . 26.3 t -36.56 146.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.523 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 77.0 mt-30 -76.8 -62.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.566 ' CD1' ' N ' ' A' ' 65' ' ' CYS . 2.9 t80 -52.88 -66.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.566 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 39.9 m -38.88 -48.26 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.643 ' NE ' HG11 ' A' ' 12' ' ' VAL . 2.6 tpt180 -64.15 -64.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.85 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -43.17 -39.67 2.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.643 ' N ' HD13 ' A' ' 67' ' ' LEU . 49.0 mmtt -71.72 -40.32 69.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.499 ' O ' HG13 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -52.83 -24.19 8.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.841 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.445 ' O ' HG22 ' A' ' 73' ' ' VAL . 86.3 m -67.96 -52.92 30.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.11 -25.99 68.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 7.5 tmtt? -75.48 -55.78 5.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 69' ' ' LYS . 27.3 m -53.78 -26.34 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 139.8 -35.1 1.96 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.617 ' SD ' HG21 ' A' ' 26' ' ' THR . 59.3 mtp -36.58 117.88 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.738 0.304 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 76' ' ' ARG . 4.7 ptp180 -99.66 137.11 38.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -61.18 -50.09 74.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -40.72 -35.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.95 -50.04 75.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.533 HG21 ' HB ' ' A' ' 38' ' ' VAL . 70.6 t -46.22 -53.67 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.166 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.45 ' CD ' ' O ' ' A' ' 81' ' ' GLN . 0.0 OUTLIER -124.11 110.05 14.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 24.9 ttt-85 -123.54 42.76 3.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 144.89 69.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.2 m -123.98 93.03 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.937 0.399 . . . . 0.0 110.895 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -146.87 69.04 0.38 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 143.95 52.26 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.325 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 57.7 m -81.57 109.64 16.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.9 t -120.51 41.93 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.093 -0.837 . . . . 0.0 112.485 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -96.93 -48.41 5.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.844 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t -123.02 83.31 2.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 155.1 -39.94 0.62 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 4' ' ' GLY . 96.6 p -37.27 139.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.91 0.386 . . . . 0.0 110.844 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 p -120.36 151.87 38.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.845 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.82 165.88 34.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.488 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.536 HG22 ' N ' ' A' ' 9' ' ' GLU . 11.0 mt -75.77 163.58 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 111.116 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.536 ' N ' HG22 ' A' ' 8' ' ' ILE . 1.7 pt-20 -122.89 168.82 11.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 15' ' ' ASP . 47.3 t -84.01 120.18 25.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.4 m -70.46 2.52 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.8 t -106.67 -50.9 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.7 p -117.3 -16.99 10.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 10' ' ' CYS . . . 95.41 -7.05 68.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.517 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 10' ' ' CYS . 25.7 t0 -63.46 139.49 58.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.27 107.44 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.4 t -63.54 146.48 53.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.0 t -88.77 -16.31 32.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.44 -179.72 39.06 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.456 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.542 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 15.7 ttmt -78.37 84.25 4.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.758 0.313 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -92.36 116.6 29.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 68.19 47.66 0.99 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.19 19.34 51.71 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -151.98 143.19 23.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.954 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.542 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 68.5 m-85 -82.79 111.78 19.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.8 p -142.33 138.48 31.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.8 p -53.49 174.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -73.78 -25.23 60.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.07 -40.46 93.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 59.6 m -89.77 -28.44 19.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.453 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -55.35 -45.02 76.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.453 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 2.6 m -81.78 -29.8 32.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.542 ' CE2' ' HD3' ' A' ' 66' ' ' ARG . 92.6 t80 -66.2 -34.69 78.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.848 ' O ' HG23 ' A' ' 38' ' ' VAL . 43.5 t80 -72.14 -43.15 65.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.436 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 36.8 tttt -67.44 -64.06 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.439 ' HB2' ' NH1' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -45.11 -22.47 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.822 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.5 p -94.2 -40.03 10.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.828 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 34' ' ' PHE . 95.2 t -78.17 -57.89 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.438 ' HB2' ' NH1' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -52.55 -29.72 26.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.5 ' HB3' HD21 ' A' ' 42' ' ' LEU . 30.6 mtp85 -95.55 -21.07 18.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 74.68 32.09 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 40' ' ' ARG . 12.7 mt -69.32 141.82 54.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.1 m -130.9 87.54 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.193 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -69.17 153.88 42.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.2 m -106.06 133.8 50.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 50.0 t -99.08 94.61 6.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -11.43 2.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -94.85 -173.84 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -82.58 34.53 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.475 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 64.7 mtm180 43.55 34.74 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -120.98 16.82 11.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.6 m -60.32 123.94 75.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.67 0.748 . . . . 0.0 110.81 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 85.3 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.34 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.744 HG23 ' OE1' ' A' ' 61' ' ' GLN . 24.8 mm -65.39 111.55 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.491 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 3.8 p30 -139.63 178.84 6.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 57' ' ' HIS . 2.4 tp-100 -90.88 -59.79 2.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 56' ' ' GLN . 55.3 m-70 -34.98 -49.94 0.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -79.55 144.97 33.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 59' ' ' ARG . 20.5 mtm105 -110.43 178.59 4.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 46.94 37.44 4.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.744 ' OE1' HG23 ' A' ' 54' ' ' ILE . 5.8 pt20 -64.62 168.08 6.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 49.6 t -51.09 161.52 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -99.41 -56.44 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.475 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -61.06 -54.88 39.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.963 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.443 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 56.5 m -51.01 -54.02 28.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.55 ' HB2' HD12 ' A' ' 54' ' ' ILE . 44.5 ttt180 -57.87 -51.29 70.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.836 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -55.01 -44.04 74.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.61 ' N ' HD13 ' A' ' 67' ' ' LEU . 32.4 mmtt -66.55 -49.98 64.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -39.27 -25.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 68' ' ' LYS . 76.1 m -69.41 -49.68 52.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 mt -70.8 -8.89 55.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 73' ' ' VAL . 10.4 tmtt? -91.04 -54.22 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.439 ' CG2' ' HG3' ' A' ' 75' ' ' MET . 30.4 m -54.7 -38.28 42.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 153.69 -29.61 0.75 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.439 ' HG3' ' CG2' ' A' ' 73' ' ' VAL . 44.2 mtp -37.19 121.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.732 0.301 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -102.13 138.64 38.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.447 ' HD2' HG13 ' A' ' 38' ' ' VAL . 47.3 mtm180 -70.43 -41.83 72.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.852 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -43.25 -36.31 1.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.16 -47.68 73.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.8 t -44.46 -41.44 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -126.34 99.5 5.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 84' ' ' SER . 0.0 OUTLIER -55.25 152.15 8.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -80.99 70.69 3.03 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.415 ' HB2' ' NH1' ' A' ' 82' ' ' ARG . 67.6 m -112.44 78.76 1.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.912 0.387 . . . . 0.0 110.869 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -126.58 -147.5 6.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 118.03 5.44 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.256 . . . . 0.0 112.335 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 t -75.62 -62.33 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.9 m -66.72 95.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.091 -0.838 . . . . 0.0 112.458 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m 67.0 44.62 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.1 p -109.05 174.52 5.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.44 64.17 4.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.528 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 p -60.49 122.93 15.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.352 . . . . 0.0 110.834 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.8 p -83.2 -49.28 9.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.29 172.47 18.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.517 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.7 mt -79.46 154.39 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 111.116 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -108.58 161.5 15.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.1 t -76.61 120.42 21.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.4 m -69.72 2.22 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.123 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.411 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 47.6 t -106.6 -56.92 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.439 ' HB2' ' C ' ' A' ' 55' ' ' ASP . 28.4 p -113.25 -15.05 12.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 98.12 -17.32 58.83 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.456 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 10' ' ' CYS . 27.6 t70 -50.41 139.3 15.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 tppt? -46.72 103.99 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.1 t -56.43 146.42 24.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.823 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.7 t -91.93 -13.14 31.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.87 -171.43 36.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.548 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 20.2 ttmt -86.06 84.25 7.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.339 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -96.61 124.71 40.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.598 ' CE1' HG22 ' A' ' 80' ' ' VAL . 31.9 m-85 67.08 37.4 3.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.83 16.03 65.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.495 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -146.53 146.38 30.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.888 0.375 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.548 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 40.9 m-85 -82.11 108.35 15.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.421 HG21 ' SD ' ' A' ' 75' ' ' MET . 40.4 p -139.91 158.76 43.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.7 p -74.9 165.8 24.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -63.44 -26.17 68.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -67.97 -42.45 85.3 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.8 m -85.62 -32.01 22.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.946 0.403 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -51.34 -54.17 28.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t -72.51 -46.54 54.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -49.57 -35.77 21.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.855 ' O ' HG23 ' A' ' 38' ' ' VAL . 53.5 t80 -71.93 -46.47 57.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 38' ' ' VAL . 21.2 tttm -64.61 -66.07 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.458 ' N ' ' HG2' ' A' ' 35' ' ' LYS . 5.6 ptm180 -38.01 -26.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 35' ' ' LYS . 89.9 p -95.08 -33.85 12.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 34' ' ' PHE . 84.6 t -82.83 -58.72 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.498 ' HG2' ' CG ' ' A' ' 35' ' ' LYS . 2.8 ppt_? -53.56 -27.52 26.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.478 ' HG3' ' NE ' ' A' ' 39' ' ' ARG . 25.9 mtp180 -95.02 -22.06 18.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 71.94 40.89 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 37' ' ' SER . 13.4 mt -77.25 170.5 16.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.0 m -149.55 119.22 7.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.575 ' CD2' ' HB3' ' A' ' 63' ' ' GLN . 10.3 m-85 -103.6 162.06 13.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.001 0.429 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.5 m -122.56 101.83 7.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.4 t -57.54 110.52 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -64.02 -12.2 36.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -102.25 -172.23 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -80.51 31.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 53.14 36.72 23.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -127.36 22.84 6.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.4 m -67.1 122.29 82.03 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 89.77 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.47 HD12 ' HB2' ' A' ' 66' ' ' ARG . 29.2 mm -67.08 107.76 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.522 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 6.2 t0 -126.59 -173.9 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -101.82 -42.89 5.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.563 ' CG ' ' N ' ' A' ' 58' ' ' HIS . 3.5 p80 -41.3 -48.55 3.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.563 ' N ' ' CG ' ' A' ' 57' ' ' HIS . 5.4 t-160 -80.35 159.98 25.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -102.59 -66.02 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -68.12 92.75 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 28.8 mm-40 -102.71 153.17 20.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 21.6 t -56.71 129.8 42.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.575 ' HB3' ' CD2' ' A' ' 44' ' ' TYR . 17.6 mt-30 -61.32 -66.8 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.542 ' CD2' ' N ' ' A' ' 65' ' ' CYS . 14.1 t80 -49.35 -72.15 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.542 ' N ' ' CD2' ' A' ' 64' ' ' TYR . 47.9 m -37.49 -59.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.47 ' HB2' HD12 ' A' ' 54' ' ' ILE . 66.7 ttt180 -49.28 -52.98 24.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 68' ' ' LYS . 1.9 tp -57.62 -58.98 5.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.531 ' HG3' ' CZ ' ' A' ' 64' ' ' TYR . 19.8 mmtt -48.83 -44.96 39.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.72 -29.94 5.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 77.7 m -67.09 -50.84 60.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.408 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 14.0 mt -62.64 -21.44 65.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 72' ' ' LYS . 1.4 tmtp? -81.99 -59.4 2.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.8 m -50.54 -28.15 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 144.44 -36.71 1.44 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 74' ' ' GLY . 59.2 mtp -35.34 116.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.75 0.31 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.427 ' HE ' ' CG ' ' A' ' 78' ' ' GLU . 4.7 ptm180 -98.71 147.24 25.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.436 ' HE ' HG13 ' A' ' 38' ' ' VAL . 79.1 mtp180 -73.61 -40.5 63.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.427 ' CG ' ' HE ' ' A' ' 76' ' ' ARG . 11.9 pm0 -53.43 -30.52 40.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.03 -46.2 82.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.598 HG22 ' CE1' ' A' ' 22' ' ' TYR . 40.9 t -54.43 -60.2 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 80' ' ' VAL . 71.9 mt-30 -34.36 103.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 45.8 mtm180 -58.74 -64.9 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.05 155.25 35.27 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.3 t -94.35 96.28 9.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.955 0.407 . . . . 0.0 110.854 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.32 -153.74 18.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -27.99 25.87 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.717 2.278 . . . . 0.0 112.336 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.6 p -88.86 105.87 18.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.7 m -127.09 -49.01 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.193 -0.781 . . . . 0.0 112.468 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 t -96.31 159.67 14.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 0.0 110.837 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -111.47 82.83 1.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.99 -69.67 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -99.36 43.2 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.853 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.7 t -167.02 116.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.12 141.34 12.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.546 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.503 HD13 ' CE1' ' A' ' 25' ' ' PHE . 10.3 mt -85.64 146.45 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 111.127 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -104.61 162.8 12.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 15' ' ' ASP . 44.9 t -79.12 126.34 30.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.59 ' O ' HG11 ' A' ' 73' ' ' VAL . 30.3 m -75.09 7.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.402 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 79.0 t -112.62 -56.03 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.405 ' HB2' ' CA ' ' A' ' 56' ' ' GLN . 29.5 p -114.31 -14.21 12.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.23 -20.4 50.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.539 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 10' ' ' CYS . 35.5 t0 -47.43 140.47 5.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HD3' ' C ' ' A' ' 16' ' ' LYS . 11.3 tmtt? -45.6 100.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 t -54.89 134.89 48.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.9 p -75.8 -22.28 56.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.99 -173.33 39.18 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -78.66 87.34 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -98.22 128.5 44.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.573 ' CD2' ' HE3' ' A' ' 75' ' ' MET . 15.5 m-85 59.27 41.22 20.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.54 18.48 65.79 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -149.98 146.82 27.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.503 ' CE1' HD13 ' A' ' 8' ' ' ILE . 27.8 m-85 -81.53 108.98 15.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.8 p -140.41 142.47 35.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.5 p -63.47 160.12 17.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.18 -39.21 59.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.23 -46.15 93.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.552 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 78.3 m -83.54 -19.28 35.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.897 0.379 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 32' ' ' SER . 2.9 tmmm? -64.6 -49.63 70.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.49 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 58.9 p -81.93 -38.14 25.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -58.57 -30.65 67.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.557 ' CD2' ' HE3' ' A' ' 75' ' ' MET . 59.9 t80 -75.03 -48.98 21.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.458 ' HG2' ' HG2' ' A' ' 39' ' ' ARG . 28.7 tttt -67.23 -62.48 1.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 35' ' ' LYS . 16.6 ptt180 -34.76 -34.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 35' ' ' LYS . 11.5 p -84.29 -50.96 7.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.97 -58.36 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.458 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -51.03 -30.0 14.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.547 ' HB3' HD21 ' A' ' 42' ' ' LEU . 21.8 mtp180 -93.44 -12.61 29.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.5 m120 64.28 40.47 6.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 40' ' ' ARG . 14.4 mt -81.5 175.34 10.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.9 m -162.38 112.79 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.416 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 7.9 m-85 -92.2 143.79 26.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.1 m -102.51 101.26 11.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.501 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 52.5 t -61.01 109.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.28 -8.44 46.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.33 -172.0 2.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -79.98 34.5 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.418 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 72.3 mtt-85 44.32 29.75 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -121.78 22.26 10.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.9 m -63.96 130.27 94.39 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.621 0.724 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 105.27 1.45 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.352 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.509 HD12 ' HB2' ' A' ' 66' ' ' ARG . 50.2 mm -86.45 113.6 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.155 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.483 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 5.7 m-20 -143.88 178.99 7.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' HIS . 1.5 tp-100 -94.84 -60.59 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.547 ' CG ' ' N ' ' A' ' 58' ' ' HIS . 18.6 p80 -34.55 -52.9 0.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.547 ' N ' ' CG ' ' A' ' 57' ' ' HIS . 2.6 t-160 -66.3 145.68 55.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 60' ' ' ASN . 0.7 OUTLIER -62.17 -178.3 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.866 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 59' ' ' ARG . 5.9 m120 -33.91 112.96 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.483 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 1.1 mp0 -94.3 178.79 5.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' GLN . 53.6 t -36.71 155.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.416 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 21.7 mt-30 -91.53 -56.56 3.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.954 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.523 ' CD1' ' N ' ' A' ' 65' ' ' CYS . 0.9 OUTLIER -59.63 -59.75 4.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.868 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.523 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 66.0 m -47.83 -53.43 15.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.509 ' HB2' HD12 ' A' ' 54' ' ' ILE . 77.5 ttt180 -58.48 -55.95 28.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.746 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -50.53 -46.04 57.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.518 ' N ' HD13 ' A' ' 67' ' ' LEU . 59.1 mmtt -63.01 -52.14 64.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.459 ' O ' HG13 ' A' ' 73' ' ' VAL . 4.9 ttmt -36.21 -29.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 68' ' ' LYS . 64.4 m -62.75 -57.66 10.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.457 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 9.8 mt -60.73 -17.76 50.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -83.77 -59.43 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.59 HG11 ' O ' ' A' ' 11' ' ' VAL . 35.1 m -48.13 -26.39 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.479 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 140.8 -35.5 1.85 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.472 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.573 ' HE3' ' CD2' ' A' ' 22' ' ' TYR . 33.8 mmm -32.15 139.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.838 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -113.51 149.28 34.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.457 ' HG3' ' CD2' ' A' ' 71' ' ' LEU . 17.9 mtm105 -85.11 -35.97 21.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -49.47 -39.15 32.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 80' ' ' VAL . . . -66.14 -50.24 64.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' ALA . 77.9 t -33.83 -37.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 79' ' ' ALA . 11.9 pt20 -119.35 78.09 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 83' ' ' GLY . 23.3 ttp180 -118.92 -43.04 2.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' ARG . . . -34.35 123.91 0.47 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.532 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.6 m -97.39 141.47 30.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 0.0 110.818 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -85.65 -170.54 47.19 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 104.07 1.27 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.309 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.3 m 56.01 42.17 28.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.802 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.6 m -107.47 -44.95 4.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.461 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 p -113.06 100.15 8.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.364 . . . . 0.0 110.856 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 t -63.71 132.41 50.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.94 101.68 1.47 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.52 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -64.13 99.4 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.925 0.393 . . . . 0.0 110.849 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.0 t -45.56 101.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.59 146.53 4.44 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.9 mt -92.1 142.3 13.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -109.88 164.15 12.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 15' ' ' ASP . 49.8 t -80.73 126.14 30.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.699 ' O ' HG11 ' A' ' 73' ' ' VAL . 18.8 m -74.83 8.28 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.4 t -114.68 -54.58 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 56' ' ' GLN . 29.3 p -116.44 -12.89 10.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.89 -22.95 38.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 10' ' ' CYS . 19.8 t70 -43.85 138.71 2.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.895 0.379 . . . . 0.0 110.824 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -47.18 106.07 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.9 t -63.09 134.59 56.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 m -78.43 -16.93 57.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.909 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.54 -166.75 37.41 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.468 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 22.2 ttmt -86.02 83.17 7.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.939 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 24' ' ' GLN . 14.0 m-70 -89.88 119.45 30.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 69.0 37.98 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.12 16.78 73.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.456 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 21' ' ' HIS . 4.0 tp-100 -148.84 152.31 36.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.353 . . . . 0.0 110.911 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.424 ' CZ ' ' HE3' ' A' ' 20' ' ' LYS . 43.0 m-85 -84.96 102.21 12.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.1 p -136.34 144.34 44.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.144 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.9 p -62.12 173.76 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -69.53 -31.85 70.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.3 -40.06 98.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.503 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 83.2 m -87.09 -35.51 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.964 0.411 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -47.41 -56.78 6.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t -71.63 -45.42 62.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -50.96 -35.6 34.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.745 ' O ' HG23 ' A' ' 38' ' ' VAL . 50.2 t80 -69.8 -47.13 63.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 38' ' ' VAL . 35.4 tttt -64.7 -59.59 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -43.43 -31.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.615 ' HA ' HD12 ' A' ' 42' ' ' LEU . 22.4 p -86.33 -30.3 22.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 34' ' ' PHE . 87.0 t -87.08 -61.46 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.505 ' HE ' ' C ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -45.97 -35.17 4.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.467 ' CG ' ' HD3' ' A' ' 39' ' ' ARG . 13.9 mtp180 -91.26 -18.55 24.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 71.4 39.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 37' ' ' SER . 10.5 mt -73.93 171.51 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.5 m -156.15 107.42 2.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.557 ' CD2' ' HB3' ' A' ' 63' ' ' GLN . 10.2 m-85 -87.18 140.55 29.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 26.4 m -103.43 87.95 2.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.49 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 49.6 t -44.76 113.74 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -79.71 13.2 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.08 -171.36 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 51' ' ' ASN . 6.6 m120 -78.5 41.15 0.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.56 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 78.1 mtt85 37.06 30.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 49' ' ' ASN . 51.6 p-10 -120.13 15.77 12.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.1 m -57.39 133.0 81.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.731 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 96.49 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.619 HD11 ' HB3' ' A' ' 62' ' ' CYS . 47.5 mm -84.53 89.39 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.498 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 6.2 m-20 -130.64 168.45 17.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.493 ' O ' ' C ' ' A' ' 57' ' ' HIS . 2.1 tp-100 -78.9 -60.49 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.493 ' C ' ' O ' ' A' ' 56' ' ' GLN . 76.0 m-70 -30.93 -54.5 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -68.7 119.12 12.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -64.2 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -72.89 137.95 45.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 55' ' ' ASP . 33.3 mt-30 -148.24 144.26 27.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.619 ' HB3' HD11 ' A' ' 54' ' ' ILE . 42.1 t -53.34 161.29 0.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.557 ' HB3' ' CD2' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -96.46 -51.51 4.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.56 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 1.0 OUTLIER -64.98 -57.49 8.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.846 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.494 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 86.8 m -49.83 -47.42 51.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.568 ' HB2' HD12 ' A' ' 54' ' ' ILE . 52.4 ttt180 -62.84 -59.96 4.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.776 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -49.65 -49.11 48.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.663 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -64.04 -47.14 81.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.424 ' O ' HG13 ' A' ' 73' ' ' VAL . 1.1 ttmt -39.51 -26.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 68' ' ' LYS . 71.5 m -68.85 -53.41 21.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.422 ' CD2' ' HG3' ' A' ' 77' ' ' ARG . 11.6 mt -62.32 -17.15 57.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -85.55 -60.36 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.699 HG11 ' O ' ' A' ' 11' ' ' VAL . 31.4 m -48.77 -38.86 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 156.08 -34.13 0.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.468 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.463 ' C ' ' O ' ' A' ' 74' ' ' GLY . 30.4 mmm -33.39 138.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.739 0.304 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.42 ' HE ' ' HB2' ' A' ' 79' ' ' ALA . 13.2 ptt180 -117.63 143.55 46.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.422 ' HG3' ' CD2' ' A' ' 71' ' ' LEU . 89.1 mtt180 -77.54 -40.28 43.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -46.94 -27.49 1.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.42 ' HB2' ' HE ' ' A' ' 76' ' ' ARG . . . -74.2 -45.8 46.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.3 t -40.86 -42.59 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -109.22 155.28 21.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -66.11 -32.42 73.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 68.9 -147.51 46.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.9 t -107.98 154.76 21.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.97 0.414 . . . . 0.0 110.832 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -111.04 148.52 17.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 173.78 10.53 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.638 2.225 . . . . 0.0 112.376 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.4 m -51.94 -55.91 17.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.1 m -132.26 135.91 46.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.509 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m -82.97 46.37 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.81 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.2 p -69.94 -41.8 74.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.801 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.7 61.6 1.1 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.47 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 m -102.52 170.17 8.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.918 0.39 . . . . 0.0 110.842 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 7' ' ' GLY . 34.1 t -40.26 -38.3 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.4 147.15 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.46 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.458 HG21 ' CG ' ' A' ' 25' ' ' PHE . 12.3 mt -85.93 145.06 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 111.059 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -106.61 169.03 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' ASP . 49.0 t -83.13 126.45 32.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.699 ' O ' HG11 ' A' ' 73' ' ' VAL . 17.1 m -75.83 8.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.6 t -114.83 -54.87 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.7 p -112.38 -17.99 12.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.68 -12.11 62.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.499 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 10' ' ' CYS . 38.7 t70 -60.07 141.65 55.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.368 . . . . 0.0 110.841 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -40.79 109.88 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' ILE . 12.2 t -58.23 141.28 51.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.477 ' CB ' ' HG3' ' A' ' 28' ' ' GLU . 50.7 p -100.35 29.5 4.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.97 164.68 12.89 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 17.3 ttmt -79.39 78.74 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.453 ' CD2' ' HG3' ' A' ' 31' ' ' LYS . 80.4 m-70 -87.28 123.14 31.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 71.07 42.66 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.25 21.62 57.04 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.416 ' HG3' HG21 ' A' ' 11' ' ' VAL . 4.3 tp-100 -150.14 146.71 27.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 0.0 110.953 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.535 ' O ' HG22 ' A' ' 11' ' ' VAL . 18.6 m-85 -84.1 111.48 19.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.512 HG21 ' SD ' ' A' ' 75' ' ' MET . 73.4 p -143.64 149.61 37.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.17 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 23.2 p -66.84 173.23 3.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.477 ' HG3' ' CB ' ' A' ' 18' ' ' SER . 38.6 mt-10 -69.35 -25.37 64.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.86 -44.22 70.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.461 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 63.6 m -84.49 -32.38 24.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.959 0.409 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 32' ' ' SER . 0.2 OUTLIER -51.66 -50.03 61.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.474 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 78.2 p -78.12 -38.71 43.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -58.72 -33.73 70.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.675 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 47.6 t80 -72.12 -44.72 62.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.521 ' O ' ' N ' ' A' ' 37' ' ' SER . 6.2 ttmt -65.7 -66.79 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 37' ' ' SER . 4.6 ptm180 -36.14 -29.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 35' ' ' LYS . 83.9 p -91.66 -43.39 9.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.675 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 79.4 t -70.75 -65.58 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.165 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.48 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -49.0 -24.76 1.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.502 ' HB3' HD21 ' A' ' 42' ' ' LEU . 59.1 mtp85 -95.01 -21.34 18.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 70.82 36.03 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.502 HD21 ' HB3' ' A' ' 40' ' ' ARG . 12.5 mt -72.7 172.36 10.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.4 m -157.6 105.79 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.511 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 22.5 m-85 -89.37 142.81 27.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.8 m -99.9 90.71 4.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.586 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 41.6 t -38.18 119.35 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -81.06 18.25 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -142.13 -174.98 4.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -77.72 41.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.555 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 76.9 mtt85 43.32 37.99 1.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -124.11 14.89 9.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 36.7 m -59.46 130.96 87.92 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.656 0.741 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 100.22 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.665 2.243 . . . . 0.0 112.373 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.815 HG23 ' HD3' ' A' ' 66' ' ' ARG . 48.4 mm -88.67 88.1 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -128.0 175.3 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.455 ' O ' ' C ' ' A' ' 57' ' ' HIS . 3.9 tp-100 -80.82 -42.33 21.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.455 ' C ' ' O ' ' A' ' 56' ' ' GLN . 13.1 m170 -34.08 -47.99 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -84.41 140.65 31.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -71.39 -62.45 1.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -115.07 126.12 54.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 62' ' ' CYS . 2.2 mp0 -128.11 177.57 6.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' GLN . 42.1 t -34.69 151.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.511 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 18.9 mt-30 -90.79 -47.7 7.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.586 ' CD1' ' HB2' ' A' ' 46' ' ' CYS . 3.9 t80 -64.88 -61.77 1.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.473 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 85.6 m -44.99 -54.11 6.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.815 ' HD3' HG23 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -55.31 -64.13 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.985 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -46.98 -41.85 16.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.723 ' N ' HD13 ' A' ' 67' ' ' LEU . 29.2 mmtt -65.2 -50.43 65.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.417 ' O ' HG22 ' A' ' 73' ' ' VAL . 5.2 ttmt -43.35 -25.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 89.9 m -69.64 -47.14 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.7 mt -74.75 -15.14 60.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.14 -53.9 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.699 HG11 ' O ' ' A' ' 11' ' ' VAL . 22.6 m -53.12 -42.4 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 75' ' ' MET . . . 160.25 -34.75 0.43 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.512 ' SD ' HG21 ' A' ' 26' ' ' THR . 28.3 mtp -34.69 126.7 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -109.23 144.52 37.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.84 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.616 ' HD2' HG13 ' A' ' 38' ' ' VAL . 29.9 mtm180 -73.56 -43.86 58.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -42.05 -35.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.83 -47.11 55.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.148 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.434 HG21 HG11 ' A' ' 38' ' ' VAL . 87.9 t -41.41 -54.56 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -107.89 133.15 52.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.1 ptt-85 -96.91 117.29 30.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 129.82 67.25 0.11 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 59.6 p -51.71 174.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.934 0.397 . . . . 0.0 110.817 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 154.88 -161.76 30.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 130.23 19.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.671 2.247 . . . . 0.0 112.341 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.5 t -116.85 122.06 43.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.4 t -42.07 126.86 3.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.19 -0.783 . . . . 0.0 112.497 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 m -69.84 89.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.831 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 m -101.79 84.34 2.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.46 105.49 1.24 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -130.09 151.48 50.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.877 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p 40.49 45.06 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.27 163.89 19.07 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.515 HD13 ' CE1' ' A' ' 25' ' ' PHE . 9.4 mt -85.62 147.88 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.776 0.322 . . . . 0.0 111.138 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -105.83 169.79 8.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.484 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.2 t -83.08 123.81 29.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.528 ' O ' HG11 ' A' ' 73' ' ' VAL . 16.4 m -75.43 7.43 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.9 t -111.86 -52.39 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.7 p -116.26 -17.49 10.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 96.85 -6.5 64.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 10' ' ' CYS . 38.6 t0 -63.91 144.29 57.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.903 0.382 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -45.47 106.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 t -62.4 140.58 58.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.3 t -82.35 -20.07 38.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.44 -169.05 39.07 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 8.2 ttmm -87.71 83.68 7.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.836 0.351 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -95.37 121.2 36.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.621 ' CE1' HG22 ' A' ' 80' ' ' VAL . 27.7 m-85 69.85 39.08 1.5 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.15 23.25 69.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -152.31 149.81 29.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.515 ' CE1' HD13 ' A' ' 8' ' ' ILE . 50.2 m-85 -87.11 106.52 17.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.0 p -139.38 153.92 47.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.2 p -72.38 158.59 35.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.34 -38.14 65.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -57.08 -44.86 92.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 96.9 m -81.05 -37.42 29.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -47.54 -51.81 19.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.9 p -72.2 -50.08 30.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.463 ' HA ' ' NE ' ' A' ' 36' ' ' ARG . 65.0 t80 -49.54 -35.7 21.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.748 ' O ' HG23 ' A' ' 38' ' ' VAL . 47.1 t80 -70.15 -45.53 66.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 37' ' ' SER . 5.9 ttmt -67.65 -61.32 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' NE ' ' HA ' ' A' ' 33' ' ' PHE . 9.1 ptp180 -37.38 -27.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 35' ' ' LYS . 85.4 p -98.39 -33.5 11.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 34' ' ' PHE . 55.1 t -77.28 -56.39 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.444 ' HG2' ' HG2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -59.72 -29.95 68.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -92.77 -21.44 19.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.0 t30 70.85 43.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.3 mt -83.8 169.49 15.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.5 m -154.44 112.88 3.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -94.56 163.33 13.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.6 t -107.82 132.18 53.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.5 ' HB2' ' CD1' ' A' ' 64' ' ' TYR . 34.9 t -84.03 115.56 22.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -81.5 23.14 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.454 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . . . -144.16 -175.04 4.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -77.48 41.93 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.518 ' HG2' ' CE1' ' A' ' 64' ' ' TYR . 77.9 mtm180 40.72 34.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -126.65 16.01 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.454 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 8.7 m -56.31 126.96 70.16 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.64 0.733 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 87.64 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.672 HG23 ' OE1' ' A' ' 61' ' ' GLN . 45.2 mm -69.65 98.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.48 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 2.4 t70 -123.09 178.71 4.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -90.99 -44.33 9.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -38.38 -58.56 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.822 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -78.4 144.45 35.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -91.91 -64.24 1.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -69.82 88.88 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.672 ' OE1' HG23 ' A' ' 54' ' ' ILE . 4.5 pt20 -114.42 155.04 27.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 45.3 t -38.27 149.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -89.28 -54.42 4.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.528 ' CE2' ' HG3' ' A' ' 68' ' ' LYS . 1.4 t80 -58.65 -60.29 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.511 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 51.6 m -46.8 -54.28 10.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.44 ' HB2' HD12 ' A' ' 54' ' ' ILE . 54.8 ttt180 -56.22 -50.06 72.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.742 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -56.63 -57.59 11.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.608 ' N ' HD13 ' A' ' 67' ' ' LEU . 1.1 mmmp? -54.24 -49.68 68.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 68' ' ' LYS . 1.7 ttmt -38.36 -26.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' LYS . 68.8 m -70.35 -51.4 30.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 23.6 mt -67.12 -9.86 44.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.0 -57.95 2.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.528 HG11 ' O ' ' A' ' 11' ' ' VAL . 30.8 m -50.05 -33.78 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 148.85 -30.93 1.23 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 69.8 mtp -38.13 124.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.745 0.307 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.442 ' CZ ' ' HG3' ' A' ' 78' ' ' GLU . 2.1 ptm180 -104.62 142.6 34.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -73.68 -36.8 65.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.442 ' HG3' ' CZ ' ' A' ' 76' ' ' ARG . 6.4 pt-20 -52.59 -25.59 11.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.31 -34.43 59.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.664 ' O ' HG12 ' A' ' 80' ' ' VAL . 79.7 t -74.51 65.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.97 138.39 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 59.4 mmt-85 -67.63 141.0 56.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 175.32 76.0 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 85' ' ' GLY . 1.4 t -40.67 -60.87 1.04 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.96 0.41 . . . . 0.0 110.871 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' SER . . . 37.01 83.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -2.12 9.66 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.266 . . . . 0.0 112.362 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.6 p -107.51 134.84 49.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.8 m -81.56 42.71 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.466 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.8 p -159.28 155.44 26.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 m -106.26 114.67 28.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.55 106.58 0.28 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.425 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 m -61.76 107.75 0.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -126.45 141.64 51.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.59 -168.44 15.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.471 HG21 ' CG ' ' A' ' 25' ' ' PHE . 7.8 mt -87.86 146.17 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 111.115 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.8 mp0 -106.88 166.15 10.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 15' ' ' ASP . 42.7 t -77.42 120.66 22.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.5 m -71.28 3.19 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.403 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 57.8 t -106.9 -54.2 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.174 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.442 ' HB2' ' CA ' ' A' ' 56' ' ' GLN . 26.7 p -114.21 -17.58 11.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 96.5 -5.35 64.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.492 ' O ' ' N ' ' A' ' 10' ' ' CYS . 36.6 t0 -64.41 141.16 58.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.927 0.394 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -43.93 107.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.3 t -67.51 140.42 57.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.9 t -80.04 -21.79 43.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 162.26 -176.6 38.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.414 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 18.9 ttmt -72.42 96.29 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.33 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -106.26 119.32 38.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 67.15 36.75 3.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.45 12.05 80.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -146.74 148.21 31.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.867 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.471 ' CG ' HG21 ' A' ' 8' ' ' ILE . 57.0 m-85 -83.3 107.81 16.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.1 p -138.88 144.9 39.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.9 p -61.54 175.15 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -72.26 -29.46 63.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.41 -38.93 95.45 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 77.1 m -87.39 -39.89 14.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.91 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -42.86 -49.2 5.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.8 m -75.77 -46.54 30.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.785 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -48.96 -31.65 7.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.488 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 71.9 t80 -75.4 -52.74 10.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.405 ' C ' ' N ' ' A' ' 37' ' ' SER . 43.1 tttt -61.22 -58.58 7.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -43.98 -23.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 35' ' ' LYS . 52.3 p -98.27 -34.68 10.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.488 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 17.9 t -78.98 -55.34 9.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.498 ' NE ' ' HG2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -53.95 -34.51 59.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.524 ' HE ' HD11 ' A' ' 42' ' ' LEU . 22.2 mtm180 -95.27 -16.4 22.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 m120 66.11 42.22 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.524 HD11 ' HE ' ' A' ' 40' ' ' ARG . 14.5 mt -73.28 142.82 47.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.8 m -120.33 113.59 20.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.527 ' CG ' ' HB3' ' A' ' 63' ' ' GLN . 25.5 m-85 -93.95 151.65 19.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 46' ' ' CYS . 94.1 m -115.35 85.51 2.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.564 ' HB2' ' CD2' ' A' ' 64' ' ' TYR . 40.7 t -37.05 114.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -77.96 11.91 2.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.441 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . . . -132.55 -173.16 3.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -80.08 39.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.424 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 48.6 mtm-85 44.84 35.79 1.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -125.87 18.02 7.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.441 ' SG ' ' HB3' ' A' ' 48' ' ' ALA . 7.8 m -62.87 128.48 92.08 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.622 0.725 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 98.92 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.307 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.6 mm -82.19 86.24 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.426 ' N ' HE21 ' A' ' 61' ' ' GLN . 2.6 p30 -124.4 153.97 41.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.442 ' CA ' ' HB2' ' A' ' 13' ' ' CYS . 3.5 tp-100 -66.1 -47.8 73.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.982 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 56' ' ' GLN . 49.8 m-70 -35.89 -48.36 0.57 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -81.08 140.23 35.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.467 ' HD3' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -81.03 -42.41 21.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.467 ' N ' ' HD3' ' A' ' 59' ' ' ARG . 40.8 t30 -90.35 114.31 26.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.426 HE21 ' N ' ' A' ' 55' ' ' ASP . 65.7 mt-30 -124.51 127.8 47.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.8 t -38.8 134.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.527 ' HB3' ' CG ' ' A' ' 44' ' ' TYR . 28.5 mm100 -63.96 -62.37 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.564 ' CD2' ' HB2' ' A' ' 46' ' ' CYS . 14.1 t80 -52.62 -72.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.541 ' N ' ' CD2' ' A' ' 64' ' ' TYR . 61.5 m -37.24 -60.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 51.0 ttt180 -48.12 -53.78 15.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.01 -56.94 14.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.539 ' HG3' ' CZ ' ' A' ' 64' ' ' TYR . 19.1 mmtp -49.74 -49.55 47.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.439 ' O ' HG22 ' A' ' 73' ' ' VAL . 1.2 ttmt -42.99 -27.42 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 68.2 m -71.16 -54.25 11.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.65 -7.95 17.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -95.04 -59.2 1.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.461 ' N ' ' HD3' ' A' ' 72' ' ' LYS . 16.8 m -48.36 -39.61 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 154.48 -27.29 0.68 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.447 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 31.2 mmm -42.44 128.14 3.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.794 0.331 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.45 ' HD2' ' CG ' ' A' ' 78' ' ' GLU . 29.1 ptt180 -107.11 146.26 31.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.441 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 16.5 mtp-105 -76.4 -48.88 18.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.45 ' CG ' ' HD2' ' A' ' 76' ' ' ARG . 8.5 pt-20 -36.81 -43.93 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.22 -53.95 46.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 99.5 t -42.71 -38.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -128.63 87.6 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.3 mtt85 -47.71 173.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -139.68 -46.76 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.499 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.7 m -54.07 -61.57 2.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.25 145.6 19.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.525 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -37.48 9.08 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.241 . . . . 0.0 112.364 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.9 p -172.73 119.01 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.5 p -60.36 -46.06 91.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.489 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_